Apendice Del Prunt 5ta Edicion

8/6/2019 Apendice Del Prunt 5ta Edicion

1/74

A P P E N D I X AP R O P E R TY D A T A B A N K

T h i s a p p e n d i x c o n t a i n s s e l ec t e d p r o p e r t y v a l u e s ; m a n y o f t h e s e h a v e b e e n u s e d t oc o m p a r e t h e m e t h o d s o f t h e te x t. I t i s li m i t e d t o th o se p u r e su b s t a n c e s f o r w h i c ha n e x p e r i m e n t a l l y v a l i d a t e d c r i t i c a l t e m p e r a t u r e i s l i s t e d i n t h e T h e r m o d y n a m i c sR e s e a r c h C e n t e r ( T R C ) d a t a b a n k , C o l l e g e S t a t i o n , T X , U S A , o r i n t h e o t h e r r e -l i a b l e so u r c e s l i s t e d b e l o w . T h e v a l u e s h a v e b e e n p u b l i sh e d w i t h p e r m i s s i o n o fT R C. N o t a ll p r o p e r t ie s a r e e x p e r i m e n t a l l y a v a i l a b l e f o r a ll su b s t a n c e s l is t ed , b u ts o m e e s t i m a t e s h a v e b e e n m a d e w i t h t h e m e t h o d s d e s c r i b e d i n t h e m a i n b o d y .T h e Formula l is t in g f o r t h e su b s t a n c e s h a s t h e a t o m s i n a lp h a b e t i c a l o r d e r e x c e p tH f o l l o w s C ; t h e t a b l e h a s t h e sp e c i e s ' f o r m u l a i n a l p h a b e t i c a l o r d e r . T h e Nameu s ed is fr o m t he I U P A C a s g i v en b y T R C , a l th o u g h w e h a v e a l so g i v en c o m m o nn a m e s f o r s o m e s u b s t a n c e s.O u r s y m b o l s , f o n t s a n d e q u a t i o n s a r e g i v e n b e l o w . T h e s t a n d a r d - s t a t e G i b b se n e r g y a n d e n t h a l p y o f f o r m a t i o n a r e f o r t h e sp e c i e s a s a n id e a l g a s a t 2 9 8 .1 5 Ka n d 1 .0 13 2 5 b a r (1 a t m o sp h e r e ) . T h e r e f e r e n c e s t a te s f o r t h e e le m e n t s a r e as fo l -l o w s :I d e a l g a se s a t 2 9 8 .1 5 K a n d 1 .0 1 3 2 5 b a r : A r , Ci2, D2, F 2, H e, H 2 , Kr , N e, 02 ,R n , T 2 , X e .Cry s ta l l ine so l id a t 298 .15 K and 1 .01325 b ar : A1 , A s , B , C , Iz, P, S, Se, Si , Ti ,US a t u r a t e d L i q u i d a t 2 9 8 .1 5 K : B r 2, H g

T h e t a b l e h e a d i n g s a r e a s f o l l o w s :S e c t io n C o l u m n H e a d i n g D e f in i ti o nA l l N o .A l l F o r m u l aA l l N a m eA l l C A S #A M o l . W t .A T f pA T bA T cA P cA V cA Z c

N u m b e r f o r t h is d a t a b a s ea l p h a b e t i c a l l i s t in g o f a t o m s i n m o l e c u l e ,e x c e p t H f o l l o w s CI U P A C na m e ( c o m m o n n am e )C h e m i c a l A b s t r a c t s R e g i s t r y N u m b e rm o l e c u l a r w e i g h t , g t o o l -a t m o s p h e r i c ( n o r m a l ) f r e e z i n g / m e l t i n g p o i n t ,Ka t m o sp h e r i c ( 1 .0 1 3 2 5 b a r ) b o i l i n g p o i n t , Kv a p o r / l i q u i d c r i t i c a l t e m p e r a t u r e , Kv a p o r / l i q u i d c r i t i c a l p r e s su r e , b a rv a p o r / l i q u i d c r it ic a l v o l u m e , c m 3 m o l - zv a p o r / l i q u i d c r i t i c a l c o m p r e s s i b i l i t y f a c t o r =P c * V c / ( R * T c )A .1

Copyright 2001 by the McGraw-Hill Companies Retrieved From www.knovel.com


2/74

A.2 APPENDIX A

S e c t i on C o l u m n H e a d i n g D e f in i ti o nA O m e g aB D e l H f 0B D e l G f 0B D e l H bB D e l H mB V l iqB T l iqB D i p o l eC T r a n g e

CC

CD

D

a 0 ; a l ; a 2 ; a 3 ; a 4C p l G

C p l i qE q u a t i o n #

E q u a t i o n # 1E q u a t i o n # 2 :

E q u a t i o n # 3 :

A / A / T c ; B / B / a ;C / C / b ; T c / c ; t o / d ;n / P c ; E ; F

P i t z e r a c e n t r i c f a c t o r =- l o g ~ o ( P v p / P c ) r / r c = o . 7 - 1 ( s e e C h a p . 2 )s t a n d a r d s t a t e e n t h a l p y o f f o r m a t i o n ( s e eC h a p . 3 ) , k J m o l -~s t a n d a r d s t a t e G i b b s e n e r g y o f f o r m a t i o n ( s e eC h a p . 3 ) , k J m o l - Ie n t h a l p y c h a n g e o f a t m o s p h e r i c b o i li n g ,k J m o l - t ( s e e C h a p . 7 )e n t h a l p y c h a n g e o f a t m o s p h e r i c m e l ti n g ,k J m o l - i

l i q u id m o l a r v o l u m e , c m 3 m o l - J , a t T l iqt e m p e r a t u r e f o r V l i q , Km o l e c u l a r d i p o l e m o m e n t , d e b y e ,3 . 1 6 2 X 10-2s(J m3) I /2 ( s e e C h a p . 2 )r a n g e o f t e m p e r a t u r e s f o r w h i c h i d e a l g a sh e a t c a p a c i t y a t c o n s t a n t p r e s s u r e ( C ~ , )d a t a w e r e f it te d b y T R C t o p o l y n o m i a lCplR = a 0 + a l * T + a 2 * T 2 + a 3 * T 3+ a 4 * T 4 w i t h T i n K . T h e v a l u e o f C ~ i so b t a i n e d b y m u l t i p l y i n g t h e r e s u l t o f t h ea b o v e e q u a t i o n b y a v a l u e o f t h e u n i v e rs a l

g a s c o n s t a n t , R , a n d i t w i l l h a v e t h e s a m eu n i t s a s t h e R u s e d ( s e e T a b l e 2 - 1 ) . V a l u e sa t a n y t e m p e r a t u r e o u t s i d e o f T r a n g e a r ee x p e c t e d t o b e e r r o n e o u s .p a r a m e t e r s f o r T R C p o l y n o m i a l e q u a ti o n f o roCJR.

oT R C t a b u l a t e d v a l u e s f o r C p a t T = 2 9 8 . 1 5K o r c a l c u la t e d f ro m t he p o l y n o m i a lw h e r e R h a s b e e n t a k e n a s 8 . 3 1 4 3J m o l - ~ K - - tT R C o r o t h e r t a b u l a t e d v a l u e s f o r ( 7 , o f t h el i q u i d a t T = 2 9 8 . 1 5 K ; J m o l - I 1 ~ - 1n u m b e r o f e q u a t i o n f o r c a l c u l a ti n g p u r ev a p o r p r e s s u r e , P v p , b a r ( s e e C h a p . 7 )l o g l o ( P v p ) = A - B / ( T + C - 2 7 3 . 1 5 )l o g ~ o ( P v p ) = A - B / ( T + C - 2 7 3 . 1 5 ) +0 . 4 3 4 2 9 x " + E * x 8 + F * x 12 w h e r e x =( T - to - 2 7 3 . 1 5 ) / T cl n ( P v p ) = I n ( P c ) + ( T c / T ) * ( a * t a u + b * t a u 15+ c * t a u z ~ + d * t a u ~) w h e r et a u = (1 - T / T c )N o t e : f o r w a t e r o n l y t h e l a s t t w o t e r m s a r ec * t a u 3 + d * t a u 6

p a r a m e t e r s i n P v p E q u a t i o n s # 1 , # 2 , a n d # 3 .U s u a l l y A , B , C f o r E q u a t i o n # 1 a r e t h es a m e a s t h o s e f o r E q u a t i o n # 2 . N o t e t h a ts i n c e T c i s a c o r r e l a t in g p a r a m e t e r h e re ,t h e v a l u e s m a y d i f f e r f r o m t h o s e inS e c t i o n A .



3/74

PROPERTY D ATA BANK A . 3

S e c t io n C o l u m n H e a d i n gD

D

P v p m i n , b a r ; T m i n , K

P v p m a x , b ar ; T m a x , K

D e f i n i t i o nm i n i m u m v a p o r p r e s s u r e a n d t e m p e r a t u r e f o ra n e q u a t i o n t o b e u s e d . T h e m i n i m a f o rE q u a t i o n # 3 a r e a t t h e t r ip l e p o i n t u n l e s so t h e r w i s e n o t e d .m a x i m u m v a p o r p r e s s u r e a n d t e m p e r a t u r e f o ra n e q u a t i o n t o b e u s e d . T h e m a x i m a f o rE q u a t i o n # 3 a r e a t t h e c r i t i c a l p o i n t u n l e s so t h e r w i s e n o t e d .

F o n t s h a v e b e e n s e l e c t e d t o i n d i c a t e th e s o u r c e a n d r e l i a b i l it y o f t h e v a l u e s . T h e ya r e a s f o l l o w s :N o r m a l ( e . g ., 1 2 3 . 4 5 ) i s a v a l u e li s t e d i n t h e T R C d a t a b a s e f r o m e x p e r i m e n t .T h e d a t a e v a l u a t i o n a n d o r i g in a l s o u r c e s a r e l is t e d in t h e T R C d a t a s h e e t s a v a il -a b l e f r o m t h e C e n t e r o r o n l i n e a t S T N .U n d e r l i n e d ( 1 2 3. 4 5) i s a v a l u e o b t a i n e d f r o m o n e o f th e r e f e r e n c e s g i v e n b e l o we x c e p t a f e w v a l u e s i n s e c t i o n B t h a t a r e f r o m h a n d b o o k s o r a r e f r o m t h e 4 t hE d i t i o n .I t a l i c i z e d (123.45) i s a v a l u e c o m p u t e d f r o m o t h e r v a l u e s i n t h e t a b l e b y t h ed e f i n i ti o n s g i v e n a b o v e . F o r C~, t h e T R C p o l y n o m i a l h a s b e e n u s e d w i t h R =8 . 3 1 4 5 J m o l - l K - I .B o l d ( 1 2 3 .4 5 ) i s a n e s t i m a t e d v a lu e . T R C e s t i m a t e s s o m e P c v a l u e s; A m b r o s eo b t a i n s h is f r o m t h e l i m i t o f E q u a t i o n # 3 f o r P v p ; o t h e r v a l u e s h a v e b e e n e s t i -m a t e d u s i n g m e t h o d s o f t he m a i n b o d y . S t e e le , e t a l . ( 1 9 9 6 a b c , 1 9 9 7 a b c d ) a l s oe s t i m a t e T c a n d P c v a l u e s b y f i tt i n g v a p o r p r e s s u r e d a t a ; w h e n b o t h a r e f i tt e d ,t h e r e l i a b i l i ty i s q u e s t i o n a b l e s o w e h a v e i n c l u d e d P c v a l u e s o n l y i f t h e T c w a se x p e r i m e n t a l l y b a s e d .B o l d a n d i t a l i c i z e d (123.45) i n d i c a t e s t h a t a n e s t i m a t e d v a l u e w a s u s e d i n ac a l c u l a t i o n .A c e n t r i c f a c t o r s w e r e c a l c u l a t e d w i t h v a p o r p r e s s u r e e q u a t i o n s i n S e c t i o n D .V a l u e s t h a t r e q u i re d a n e x t r a p o l a t i o n o f t h e P v p e q u a t i o n o f u p t o 10 K o v e rT m a x a r e i n d i c a t e d b y b o l d f on t. V a l u e s a r e n o t l i s te d w h e n a n e x t r a p o l a t i o n o fm o r e t h a n 1 0 K w o u l d h a v e b e e n r e q u i r e d . W h e n P c i s i n b o l d f o n t ( e s t i m a t e d )t h e a c e n t r i c f a c t o r i s a l s o b o l d .

R E F E R E N C E SAcree, Jr., W.Ambrose, D. ,Ambrose, D. ,Am brose, D .,Ambrose, D. ,Ambrose, D. ,Ambrose, D. ,Ambrose, D. ,Ambrose, D. ,

E .: Thermochimica Acta, 1 8 9 : 3 7 (1991).and N. B. Ghiassee: J. Chem. Thermo., 19:505 (1987a) .and N. B. G hiassee : J . Chem. Thermo., 19:903 (1987b) .and N. B . Ghiassee : J. Chem. Thermo., 19:911 (1987c) .and N. B. Ghiassee: J. Chem. Thermo., 20 :765 (1988a) .and N. B. Ghiassee: J . Chem. Thermo., 20:1231 (1988b) .N. B. Ghiassee, and R. Tuckerman: J . Chem. Thermo., 20:767 (1988c) .and J. Walton: Pure & Appl. Chem., 61 :1395 (1989 ) .and N. B. Ghiassee: J. Chem. Thermo., 22 :307 (1990 ) .



4/74

A.4 APPENDIX A

A mbros e , D . , M. B . Ew i ng , a nd N . B . G h i a s s e e : J . Chem. Thermo., 2 2 : 5 8 9 ( 1 9 9 0 ) .A mbros e , D . , a nd C . Ts onopou l os : J . Chem. Eng. Data, 41 : 531 (1995) .Brown, J . A . : J . Chem. Eng. Data, 1 8 : 1 0 6 ( 1 9 6 3 ) .Daubert , T. E. : J . Chem. Eng. Data, 4 1 : 3 6 5 ( 1 9 9 6 ) .De f i ba ugh , D . R . , a nd M. R . Mol dove r : J. Chem. Eng. Data, 4 2 : 1 6 0 ( 1 9 9 7 ) .F ia lho , P . S . , and C . A. Nie to de Cas t ro : Fluid Phase Equil., 1 1 8 : 1 0 3 ( 1 9 9 6 ) .Gude , M. and A. S . Te ja : J. Chem. Eng. Data, 4 0 : 1 0 2 5 ( 1 9 9 5 ) .Le m m on , E . W . , M. O . Mc L i nde n , a nd D . G . F r i e nd : "Th e rm oph ys i c a l P rope r ti e s o f F l u i dS y s t e m s " i n NIST Chemistry WebBook, NIST Standard Reference Database Number 69,W. G. Mal la rd and P . J . L ins t ro m (eds .) , Nov. 1998, N IST Gai thersburg , M D (h t tp : / /w eb -bok.n i s t . gov) .Mc Li nde n , M. O . , J . S . G a l l a ghe r , L . A . W e be r , G . Mor r i s on , D . W a rd , A . R . H . G oodw i n ,M . R . M oldo ver , J. W. Schm idt , H . B . Chae , T . J. Bruno, J . E Ely , and M . L . Huber : ASHRAETrans., 9 5 : 2 6 3 ( 1 9 8 9 ) .S c hmi d t , J . W . , D . C a r r i l l o -N a va , a nd M. R . Mol dove r : Fluid Phase EquiL, 122 : 187 (1996) .

S i mm roc k , K . H . , R . J a now s ky , a nd A . O hn s o rge : Critical Data of Pure Substances,C he mi s t ryD a t a S e ri e s , V . I I , D EC H EM A , F ra nkfu rt , 1986 .S tee le , W. V. , R . D. Chi r i co , S . E . Knipmeyer , and A. Nguyen: J. Chem. Eng. Data, 4 1 : 1 2 5 5(1996a).S tee le , W. V. , R . D. Chi r i co , S . E . Knipmeyer , A . Nguyen, N. K. Smi th , and I . R . Tasker : J .Chem. Eng. Data, 4 1 : 1 2 6 9 ( 1 9 9 6 b ) .S tee le , W. V. , R . D. Chi r i co , S . E . Knipmeyer , A . Nguyen, and N. K. Smi th : J . Chem. Eng.(1996c) .

D . C h i r i c o , S . E . K n i pme ye r , a nd A . N guye n : J. Chem. Eng. Data, 4 2 : 1 0 0 8Data, 4 1 : 1 2 8 5

Steele , W. V. , R.(1997a).Steele , W. V. , R.(1997b).Steele , W. V. , R.Data, 4 2 : 1 0 3 7Steele , W. V. , R.

D . C h i r i c o , S . E . K n i pme ye r , a nd A . N guye n : J . Chem. Eng. Data, 4 2 : 1 0 2 1D. C h i r i c o , S . E . K n i pme ye r , A . N guye n , a nd N . K . S mi t h : J . Chem. Eng.(1997c) .D . C h i r i c o , A . B . C row e l l , S . E . K n i pme ye r , a nd A . N guye n : J. Chem. Eng.Data, 4 2 : 1 0 5 3 ( 1 9 9 7 d ) .

T s o n o p o u l o s , C . a n d D . A m b r o s e : J. Chem. Eng. Data, 4 0 : 5 4 7 ( 1 9 9 5 ) .T s o n o p o u l o s , C . a n d D . A m b r o s e : J. Chem. Eng. Data, 4 1 : 6 4 5 ( 1 9 9 6 ) .W e be r , L . A . , a nd D . E . De f i ba ugh : J. Chem. Eng. Data, 4 1 : 7 6 2 ( 1 9 9 6 ) .721bransk)~, M . , V. Ri~zicka, V. M ajer , and E. S . D om alsk i : H eat C ap aci ty o f Liquids : Cri t icalR e v i e w a n d R e c o m m e n d e d V a lu es, Amer. Chem. Soc., and Amer. Inst. Phys. for NIST, Wash-ington , D.C . , 1996.



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Apendice Del Prunt 5ta Edicion

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