Cyclohexanecarbonitrile
- Formula: C7H11N
- Molecular weight: 109.1689
- IUPAC Standard InChI: InChI=1S/C7H11N/c8-6-7-4-2-1-3-5-7/h7H,1-5H2
- IUPAC Standard InChIKey: VBWIZSYFQSOUFQ-UHFFFAOYSA-N
- CAS Registry Number: 766-05-2
- 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: Cyanocyclohexane; Cyclohexanecarboxylic acid nitrile; Cyclohexyl cyanide; Hexahydrobenzonitrile
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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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
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 |
|---|---|---|---|---|---|
| Tboil | 461.4 | K | N/A | Timmermans and Hennaut-Roland, 1955 | Uncertainty assigned by TRC = 0.2 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 285.2 | K | N/A | Timmermans and Hennaut-Roland, 1955 | Uncertainty assigned by TRC = 0.2 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 49. ± 8. | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference | Comment |
|---|---|---|---|
| 353. - 357. | 0.024 | Frinton Laboratories Inc., 1986 | BS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 39.4 | 351. | BG | Baldt and Hall, 1971 | Based on data from 333. - 427. K.; AC |
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 3.64 | 285.1 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
| ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 34.53 | 215. | Domalski and Hearing, 1996 | CAL |
| 12.75 | 285.1 |
Enthalpy of phase transition
| ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 7.425 | 215.0 | crystaline, II | crystaline, I | Kishimoto, Pinvidic, et al., 1991 | DH |
| 3.635 | 285.1 | crystaline, I | liquid | Kishimoto, Pinvidic, et al., 1991 | DH |
Entropy of phase transition
| ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 34.5 | 215.0 | crystaline, II | crystaline, I | Kishimoto, Pinvidic, et al., 1991 | DH |
| 12.75 | 285.1 | crystaline, I | liquid | Kishimoto, Pinvidic, et al., 1991 | DH |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Timmermans and Hennaut-Roland, 1955
Timmermans, J.; Hennaut-Roland, M.,
Work of the International Bureau of Physical-Chemical Standards. IX. The Physical Constants of Twenty Organic Compounds,
J. Chim. Phys. Phys.-Chim. Biol., 1955, 52, 223. [all data]
Frinton Laboratories Inc., 1986
Frinton Laboratories Inc.,
Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [all data]
Baldt and Hall, 1971
Baldt, J.H.; Hall, H.K.K., Jr.,
Thermochemistry of strained-ring bridgehead nitriles and esters,
J. Am. Chem. Soc., 1971, 93, 140-145. [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]
Kishimoto, Pinvidic, et al., 1991
Kishimoto, I.; Pinvidic, J.J.; Matsuo, T.; Suga, H.,
Phase transition and glass transitions in isocyanocyclohexane studied by a polaro-calorimeter, Proc. Jpn. Acad.,
Ser, 1991, B 67(4), 66-71. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion 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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