Endo-bicyclo[2.2.1]heptane-2-carbonitrile
- Formula: C8H11N
- Molecular weight: 121.1796
- IUPAC Standard InChIKey: GAHKEUUHTHVKEA-KAVNDROISA-N
- CAS Registry Number: 3211-87-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Condensed phase thermochemistry data
Go To: Top, Phase change data, References, Notes
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 |
---|---|---|---|---|---|
ΔcH°solid | -1132.98 ± 0.35 | kcal/mol | Ccb | Goroshko, Kozina, et al., 1964 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 53.700 | cal/mol*K | N/A | Kolesov, Seregin, et al., 1970 | DH |
S°solid,1 bar | 53.489 | cal/mol*K | N/A | Seregin, Kolesov, et al., 1962 | DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
46.350 | 298.15 | Kolesov, Seregin, et al., 1970 | T = 12 to 340 K.; DH |
46.341 | 298.15 | Seregin, Kolesov, et al., 1962 | T = 12 to 350 K.; DH |
Phase change data
Go To: Top, Condensed phase thermochemistry data, References, Notes
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
AC - William E. Acree, Jr., James S. Chickos
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 |
---|---|---|---|---|---|
Ttriple | 331.2 | K | N/A | Kolesov, Seregin, et al., 1970, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.1 K; TRC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.707 | 331.2 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
3.04 | 177.3 | Domalski and Hearing, 1996 | CAL |
2.14 | 331.2 |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.53819 | 177.3 | crystaline, II | crystaline, I | Kolesov, Seregin, et al., 1970 | DH |
0.70770 | 331.2 | crystaline, I | liquid | Kolesov, Seregin, et al., 1970 | DH |
0.5007 | 177.35 | crystaline, II | crystaline, I | Seregin, Kolesov, et al., 1962 | DH |
0.7077 | 331.67 | crystaline, I | liquid | Seregin, Kolesov, et al., 1962 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
3.035 | 177.3 | crystaline, II | crystaline, I | Kolesov, Seregin, et al., 1970 | DH |
2.14 | 331.2 | crystaline, I | liquid | Kolesov, Seregin, et al., 1970 | DH |
2.820 | 177.35 | crystaline, II | crystaline, I | Seregin, Kolesov, et al., 1962 | DH |
2.13 | 331.67 | crystaline, I | liquid | Seregin, Kolesov, et al., 1962 | DH |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Goroshko, Kozina, et al., 1964
Goroshko, N.N.; Kozina, M.P.; Skuratov, S.M.; Belikova, N.A.; Plate, A.F.,
The heats of combustion of exo- and endo isomers of 2-cyano-bicyclo(2.2.1)heptane,
Vestn. Mosk. Univ. Ser. 2: Khim., 1964, 19, 3-6. [all data]
Kolesov, Seregin, et al., 1970
Kolesov, V.P.; Seregin, E.A.; Belikova, N.A.; Skuratov, S.M.; Plate, A.F.,
Specific heat in the interval 12-350K and thermodynamic functions of the endo- and exo-isomers of 2-cyanobicyclo[2,2,1]heptane,
Termodin. Termokhim. Konstanty, 1970, 1970, 164-172. [all data]
Seregin, Kolesov, et al., 1962
Seregin, E.A.; Kolesov, V.P.; Belikova, N.A.; Skuratov, S.M.; Plate, A.F.,
Heat capacity at low temperatures and the thermodynamic functions of endo- and exo-2-cyanobicyclo[2.2.1]heptane,
Dokl. Akad. Nauk, 1962, SSSR 145(3), 580-583. [all data]
Kolesov, Seregin, et al., 1970, 2
Kolesov, V.P.; Seregin, E.A.; Belikova, N.A.; Skuratov, S.M.; Plate, A.F.,
Specific heat in the interval 12-350 K and thermodynamic functions of the endo- and exo-isomers of 2-cyanobicyclo[2.2.1]heptane,
Termodin. Termokhim. Konstanty., 1970, 1970, 163-72. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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