2-Propenenitrile
- Formula: C3H3N
- Molecular weight: 53.0626
- IUPAC Standard InChIKey: NLHHRLWOUZZQLW-UHFFFAOYSA-N
- CAS Registry Number: 107-13-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Acrylonitrile; Acrylon; Carbacryl; Cyanoethylene; Fumigrain; Propenenitrile; Ventox; Vinyl cyanide; VCN; CH2CHCN; Acritet; Acrylnitril; Acrylonitrile monomer; Akrylonitryl; Cianuro di vinile; Cyanure de vinyle; ENT 54; Miller's fumigrain; Nitrile acrilico; Nitrile acrylique; TL 314; Akrylonitril; Rcra waste number U009; UN 1093; Vinylkyanid; Cyanoethene; Propenitrile; Propenonitrile; NSC 6362
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Gas phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 41.25 | kcal/mol | N/A | Baroody and Carpenter, 1972 | Value computed using ΔfHliquid° value of 140.0 kj/mol from Baroody and Carpenter, 1972 and ΔvapH° value of 32.6 kj/mol from Hall and Baldt, 1971.; DRB |
ΔfH°gas | 42.95 | kcal/mol | Ccr | Hall and Baldt, 1971 | ALS |
Condensed phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | 33.5 | kcal/mol | Ccb | Baroody and Carpenter, 1972 | ALS |
ΔfH°liquid | 35.16 | kcal/mol | Ccr | Hall and Baldt, 1971 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -419.79 ± 0.10 | kcal/mol | Ccr | Hall and Baldt, 1971 | ALS |
ΔcH°liquid | -420.5 ± 0.7 | kcal/mol | Ccb | Davis and Wiedeman, 1945 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 42.761 | cal/mol*K | N/A | Finke, Messerly, et al., 1972 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
23.6 | 298.15 | Mirzaliev, Shakhuradov, et al., 1987 | T = 213 to 333 K. Unsmoothed experimental datum given as 1.898 kJ/kg*K at 293 K. Cp(liq) = 2.05105 + 0.00465503T/K + 1.34722x10-5T2/K2 kJ/kg*K (213 to 333 K). Note, second coefficient should be negative.; DH |
25.999 | 298.15 | Finke, Messerly, et al., 1972 | T = 12 to 350 K.; DH |
25.50 | 297. | Hall and Baldt, 1971 | DH |
27.0 | 298. | Davis and Wiedeman, 1945 | DH |
Phase change data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 351. ± 1. | K | AVG | N/A | Average of 11 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 189.47 | K | N/A | Witschonke, 1954 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 189.6 | K | N/A | Witschonke, 1954 | Uncertainty assigned by TRC = 0.1 K; TRC |
Tfus | 191. | K | N/A | Timmermans, 1922 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 189.63 | K | N/A | Finke, Messerly, et al., 1972, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 540. | K | N/A | Wilson, Wilson, et al., 1996 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 45.99 | atm | N/A | Wilson, Wilson, et al., 1996 | Uncertainty assigned by TRC = 0.20 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 7.55 | kcal/mol | A | Stephenson and Malanowski, 1987 | Based on data from 283. to 343. K.; AC |
ΔvapH° | 7.8 | kcal/mol | V | Hall and Baldt, 1971 | ALS |
ΔvapH° | 7.79 | kcal/mol | N/A | Hall and Baldt, 1971 | DRB |
ΔvapH° | 7.8 | kcal/mol | E | Davis and Wiedeman, 1945 | ALS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.03 | 272. | A | Stephenson and Malanowski, 1987 | Based on data from 257. to 352. K.; AC |
7.86 | 308. | N/A | Gubkov, Fermor, et al., 1964 | Based on data from 293. to 343. K.; AC |
8.48 | 237. | N/A | Sevrugova, Sokorskii, et al., 1964 | Based on data from 222. to 351. K.; AC |
7.79 | 273. to 353. | N/A | Davis and Wiedeman, 1945 | AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
293. to 343. | 2.69036 | 621.275 | -121.929 | Gubkov, Fermor, et al., 1964, 2 | Coefficents calculated by NIST from author's data. |
222. to 351. | 4.06090 | 1255.939 | -41.853 | Sevrugova, Sokorskii, et al., 1964, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.49 | 189.6 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.75 | 162.5 | Domalski and Hearing, 1996 | CAL |
7.849 | 189.6 |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.28401 | 162.5 | crystaline, II | crystaline, I | Finke, Messerly, et al., 1972 | DH |
1.4890 | 189.63 | crystaline, I | liquid | Finke, Messerly, et al., 1972 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.75 | 162.5 | crystaline, II | crystaline, I | Finke, Messerly, et al., 1972 | DH |
7.851 | 189.63 | crystaline, I | liquid | Finke, Messerly, et al., 1972 | DH |
Reaction thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C3H2N- + =
By formula: C3H2N- + H+ = C3H3N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 371.1 ± 2.2 | kcal/mol | G+TS | Bartmess, 1980 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrH° | 364.3 ± 4.6 | kcal/mol | EIAE | Heni and Illenberger, 1986 | gas phase; From CH2=CHCN. G3MP2B3 calculations indicate a dHacdi ca. 374 kcal/mol; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 365.3 ± 2.0 | kcal/mol | IMRE | Bartmess, 1980 | gas phase; value altered from reference due to change in acidity scale; B |
+ = C23H17NO
By formula: C3H3N + C20H14O = C23H17NO
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -21. | kcal/mol | Kin | Samuilov, Nurullina, et al., 1983 | liquid phase; solvent: Dichloroethane; Unpublished results; ALS |
ΔrH° | -20.9 ± 0.2 | kcal/mol | Cm | Kiselev, Ustyugov, et al., 1977 | liquid phase; solvent: 1,2-Dichloroethane; ALS |
(CAS Reg. No. 42117-12-4 • 4294967295) + = CAS Reg. No. 42117-12-4
By formula: (CAS Reg. No. 42117-12-4 • 4294967295C3H3N) + C3H3N = CAS Reg. No. 42117-12-4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 57.1 ± 2.2 | kcal/mol | N/A | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
By formula: C3H4N+ + C3H3N = (C3H4N+ • C3H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.7 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.3 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; M |
+ 2 = 2 + ammonium sulphide
By formula: C6H8N2S + 2H3N = 2C3H3N + ammonium sulphide
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.20 ± 0.60 | kcal/mol | Cm | Gladstone and Chang, 1966 | liquid phase; Heat of formation derived by Cox and Pilcher, 1970; ALS |
(CAS Reg. No. 180058-39-3 • 4294967295) + = CAS Reg. No. 180058-39-3
By formula: (CAS Reg. No. 180058-39-3 • 4294967295C3H3N) + C3H3N = CAS Reg. No. 180058-39-3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.8 ± 2.4 | kcal/mol | N/A | Bartmess, 1980 | gas phase; B |
2 + ammonium sulphide = + 2
By formula: 2C3H3N + ammonium sulphide = C6H8N2S + 2H3N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -30.20 ± 0.60 | kcal/mol | Cm | Gladstone and Chang, 1966 | liquid phase; ALS |
Henry's Law data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference |
---|---|---|---|
7.2 | X | N/A | |
11. | 2800. | X | N/A |
Gas phase ion energetics data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C3H3N+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 10.91 ± 0.01 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 187.5 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 180.1 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.006505 | EFD | Suess, Liu, et al., 2003 | Possibly dipole-stabilized anion; G3MP2B3 indicate valence anion is unbound by ca. 0.15 eV; B |
0.006895 | EFD | Desfrancois, Abdoul-Carime, et al., 1994 | EA: 6.9 meV. Dipole-bound state.; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.91 | PE | Ohno, Matumoto, et al., 1984 | LBLHLM |
10.91 | PE | Kimura, Katsumata, et al., 1981 | LLK |
10.91 | PE | Lake and Thompson, 1970 | RDSH |
10.91 ± 0.01 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
11.1 | PE | Bieri, Asbrink, et al., 1982 | Vertical value; LBLHLM |
10.92 ± 0.05 | PE | Houk and Munchausen, 1976 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C2H2+ | 13.13 ± 0.10 | HCN | EI | Momigny, Urbain, et al., 1965 | RDSH |
C3HN+ | 16.4 ± 0.1 | ? | EI | Chelobov, Dubov, et al., 1969 | RDSH |
C3H2N+ | 13.82 ± 0.08 | H | EI | Momigny, Urbain, et al., 1965 | RDSH |
C3N+ | 21.6 ± 0.1 | ? | EI | Chelobov, Dubov, et al., 1969 | RDSH |
De-protonation reactions
C3H2N- + =
By formula: C3H2N- + H+ = C3H3N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 371.1 ± 2.2 | kcal/mol | G+TS | Bartmess, 1980 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrH° | 364.3 ± 4.6 | kcal/mol | EIAE | Heni and Illenberger, 1986 | gas phase; From CH2=CHCN. G3MP2B3 calculations indicate a dHacdi ca. 374 kcal/mol; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 365.3 ± 2.0 | kcal/mol | IMRE | Bartmess, 1980 | gas phase; value altered from reference due to change in acidity scale; B |
Ion clustering data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: C3H4N+ + C3H3N = (C3H4N+ • C3H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.7 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.3 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty
- gas; IFS66V (Bruker); 3-Term B-H Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Boxcar Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Happ Genzel Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); NB Strong Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Triangular Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution
Mass spectrum (electron ionization)
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-2179 |
NIST MS number | 228280 |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
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Download spectrum in JCAMP-DX format.
Source | Fihtengolts, et al., 1969 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 20145 |
Instrument | SF-4 |
Boiling point | 77.3 |
Gas Chromatography
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | BPX-5 | 30. | 540. | Aflalaye, Sternberg, et al., 1995 | 12. m/0.15 mm/0.25 μm, H2 |
Capillary | BPX-5 | 30. | 544. | Aflalaye, Sternberg, et al., 1995 | 12. m/0.15 mm/0.25 μm, H2 |
Capillary | CP Sil 5 CB | 20. | 496.4 | Do and Raulin, 1992 | 25. m/0.15 mm/2. μm, H2 |
Capillary | PoraPLOT Q | 100. | 476. | Do and Raulin, 1989 | 10. m/0.32 mm/10. μm, H2 |
Capillary | PoraPLOT Q | 160. | 482. | Do and Raulin, 1989 | 10. m/0.32 mm/10. μm, H2 |
Packed | SE-30 | 100. | 500. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 521.1 | Xu, van Stee, et al., 2003 | 30. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C |
Packed | SE-30 | 520. | Fischer and Kusch, 1990 | Chromosorb W AW (80-100 mesh), 5. K/min; Column length: 1.5 m; Tstart: 60. C; Tend: 280. C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 32. | 516. | Blazso, Ujszaszi, et al., 1980 | Column length: 20. m; Column diameter: 0.23 mm |
Packed | Synachrom | 150. | 482. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Packed | Synachrom | 150. | 488. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 491. | Bramston-Cook, 2013 | 60. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min |
Capillary | OV-101 | 495. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | HP-5 | 526. | Jung, Wichmann, et al., 1999 | 25. m/0.20 mm/0.33 μm, 50. C @ 3. min, 5. K/min; Tend: 180. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 495. | Zenkevich, 1999 | Program: not specified |
Capillary | SPB-1 | 492. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | Polydimethyl siloxanes | 495. | Zenkevich, 1997 | Program: not specified |
Capillary | SPB-1 | 492. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
Capillary | SPB-1 | 490. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 993. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Carbowax 20M | 1010. | Ramsey and Flanagan, 1982 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, NIST Subscription Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Baroody and Carpenter, 1972
Baroody, E.E.; Carpenter, G.A.,
Heats of formation of propellant compounds (U), Rpt. Naval Ordnance Systems Command Task No. 331-003/067-1/UR2402-001 for Naval Ordance Station, Indian Head, MD, 1972, 1-9. [all data]
Hall and Baldt, 1971
Hall, H.K., Jr.; Baldt, J.H.,
Thermochemistry of strained-ring bridgehead nitriles and esters,
J. Am. Chem. Soc., 1971, 93, 140-145. [all data]
Davis and Wiedeman, 1945
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Notes
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- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid EA Electron affinity IE (evaluated) Recommended ionization energy Pc Critical pressure S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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