cis-1,2-Diethylcyclopropane
- Formula: C7H14
- Molecular weight: 98.1861
- IUPAC Standard InChI: InChI=1S/C7H14/c1-3-6-5-7(6)4-2/h6-7H,3-5H2,1-2H3/t6-,7+
- IUPAC Standard InChIKey: AKOVCHSGJHQHEH-KNVOCYPGSA-N
- CAS Registry Number: 71032-67-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -10.66 ± 0.39 | kcal/mol | Ccb | Wiberg, Lupton, et al., 1984 | see Lupton, 1970 |
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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -19.12 ± 0.33 | kcal/mol | Ccb | Wiberg, Lupton, et al., 1984 | see Lupton, 1970 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1117.5 ± 0.3 | kcal/mol | Ccb | Wiberg, Lupton, et al., 1984 | see Lupton, 1970; Corresponding ΔfHºliquid = -19.09 kcal/mol (simple calculation by NIST; no Washburn corrections) |
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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 366.65 | K | N/A | Simmons and Smith, 1959 | Uncertainty assigned by TRC = 2. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 8.5 ± 0.2 | kcal/mol | E | Wiberg, Lupton, et al., 1984 | see Lupton, 1970; ALS |
| ΔvapH° | 8.46 | kcal/mol | N/A | Wiberg, Lupton, et al., 1984 | DRB |
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 |
|---|---|---|---|---|---|
| Packed | Squalane | 60. | 695. | Bogoslovsky, Anvaer, et al., 1978 | |
| Capillary | Squalane | 60. | 694.8 | Schomburg and Dielmann, 1973 | Column length: 100. m; Column diameter: 0.25 mm |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wiberg, Lupton, et al., 1984
Wiberg, K.B.; Lupton, E.C., Jr.; Wasserman, D.J.; de Meijere, A.,
Enthalpies of formation of cis- and trans-1,2-diethylcyclopropane and cis- and trans-bicyclo[6.1.0]nonane. Structural effects on energies of cyclopropane rings,
J. Am. Chem. Soc., 1984, 106, 1740-1744. [all data]
Lupton, 1970
Lupton, E.C., Jr.,
The thermochemistry of some small ring compounds,
Diss. Abs., 1970, 31, 1174-1175. [all data]
Simmons and Smith, 1959
Simmons, H.E.; Smith, R.D.,
A New Synthesis of Cyclopropanes,
J. Am. Chem. Soc., 1959, 81, 4256. [all data]
Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S.,
Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]
Schomburg and Dielmann, 1973
Schomburg, G.; Dielmann, G.,
Use of retention increments for identification and correlation of saturated and unsaturated cyclopropane hydrocarbons by means of Kovats indices,
Anal. Chem., 1973, 45, 9, 1647-1658, https://doi.org/10.1021/ac60331a021
. [all data]
Notes
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- Symbols used in this document:
Tboil Boiling point 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 ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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