cyclohexyl isocyanide
- Formula: C7H11N
- Molecular weight: 109.1689
- IUPAC Standard InChIKey: XYZMOVWWVXBHDP-UHFFFAOYSA-N
- CAS Registry Number: 931-53-3
- 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. - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Options:
Phase change data
Go To: Top, Gas phase ion energetics 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:
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
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
0.951 | 277.7 | DSC | Singh and Murthy, 2008 | AC |
1.01 | 279.6 | N/A | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
7.665 | 192.6 | Domalski and Hearing, 1996 | CAL |
3.614 | 279.6 |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.476 | 192.6 | crystaline, II | crystaline, I | Kishimoto, Pinvidic, et al., 1991 | DH |
1.010 | 279.6 | crystaline, I | liquid | Kishimoto, Pinvidic, et al., 1991 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
7.665 | 192.6 | crystaline, II | crystaline, I | Kishimoto, Pinvidic, et al., 1991 | DH |
3.614 | 279.6 | crystaline, I | liquid | Kishimoto, Pinvidic, et al., 1991 | DH |
Gas phase ion energetics 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.72 ± 0.05 | EI | Distefano, Innorta, et al., 1968 | RDSH |
11.0 | PE | Young and Cheng, 1976 | Vertical value; LLK |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Singh and Murthy, 2008
Singh, L.P.; Murthy, S.S.N.,
Study of secondary relaxation in disordered plastic crystals of isocyanocyclohexane, cyanocyclohexane, and 1-cyanoadamantane,
J. Chem. Phys., 2008, 129, 9, 094501, https://doi.org/10.1063/1.2961036
. [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]
Distefano, Innorta, et al., 1968
Distefano, G.; Innorta, G.; Pignataro, S.; Foffani, A.,
Correlation between the ionization potentials of transition metal complexes and of the corresponding ligands,
J. Organometal. Chem., 1968, 14, 165. [all data]
Young and Cheng, 1976
Young, V.Y.; Cheng, K.L.,
The ultraviolet photoelectron spectra of aliphatic aromatic isonitriles,
J. Electron Spectrosc. Relat. Phenom., 1976, 9, 317. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.