Cycloheptene
- Formula: C7H12
- Molecular weight: 96.1702
- IUPAC Standard InChIKey: ZXIJMRYMVAMXQP-UHFFFAOYSA-N
- CAS Registry Number: 628-92-2
- 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. - Species with the same structure:
- Other names: (Z)-Cycloheptene; UN 2242; Cycloheptene(Z)
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔcH°liquid | -1058.4 | kcal/mol | Ccb | Zubova, 1901 | Corresponding ΔfHºliquid = -9.8 kcal/mol (simple calculation by NIST; no Washburn corrections) |
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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
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 |
---|---|---|---|---|---|
Tboil | 387. ± 2. | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 217. | K | N/A | Haines and Gilson, 1990 | Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 217.55 | K | N/A | Lebedev and Smirnova, 1989 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
9.20 | 266. | A | Stephenson and Malanowski, 1987 | Based on data from 251. to 313. K. See also Lister, 1941.; AC |
8.779 | 300. | V | Lister, 1941 | Heat of bromination at 300 K; ALS |
8.77 | 300. | N/A | Lister, 1941 | Based on data from 251. to 312. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.23 | 217. | Domalski and Hearing, 1996 | See also Lebedev and Smirnova, 1994.; AC |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.262 | 154. | crystaline, III | crystaline, II | Haines and Gilson, 1990, 2 | DH |
0.170 | 210. | crystaline, II | crystaline, I | Haines and Gilson, 1990, 2 | DH |
0.232 | 217. | crystaline, I | liquid | Haines and Gilson, 1990, 2 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
8.20 | 154. | crystaline, III | crystaline, II | Haines and Gilson, 1990, 2 | DH |
0.81 | 210. | crystaline, II | crystaline, I | Haines and Gilson, 1990, 2 | DH |
1.1 | 217. | crystaline, I | liquid | Haines and Gilson, 1990, 2 | 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.
Zubova, 1901
Zubova, P.,
Data about heat of combustion of compound cycle structure,
Zh. Fiz. Khim., 1901, 33, 708-722. [all data]
Haines and Gilson, 1990
Haines, J.; Gilson, D.F.R.,
Phase transisions in solid cycloheptene,
Can. J. Chem., 1990, 68, 604. [all data]
Lebedev and Smirnova, 1989
Lebedev, B.V.; Smirnova, N.N.,
Thermodynamics of cis-cycloheptene at 0-310 K,
Zh. Fiz. Khim., 1989, 63, 1444. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Lister, 1941
Lister, M.W.,
Heats of organic reactions. X. Heats of bromination of cyclic olefins,
J. Am. Chem. Soc., 1941, 63, 143-149. [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]
Lebedev and Smirnova, 1994
Lebedev, B.; Smirnova, N.,
Themodynamics of cycloalkenes, of their bulk polymerization in the presence of matathesis catalysts and of polyalkenes,
Macromol. Chem. Phys., 1994, 195, 35-63. [all data]
Haines and Gilson, 1990, 2
Haines, J.; Gilson, D.F.R.,
Phase transitions in solid cycloheptene,
Can. J. Chem., 1990, 68(4), 604-611. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization - 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.