trans-1,2-Diethyl-cyclopropane
- 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-/m0/s1
- IUPAC Standard InChIKey: AKOVCHSGJHQHEH-BQBZGAKWSA-N
- CAS Registry Number: 71032-66-1
- 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 | -49.1 ± 1.8 | kJ/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 | -83.4 ± 1.6 | kJ/mol | Ccb | Wiberg, Lupton, et al., 1984 | see Lupton, 1970 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -4672.1 ± 1.5 | kJ/mol | Ccb | Wiberg, Lupton, et al., 1984 | see Lupton, 1970; Corresponding ΔfHºliquid = -83.26 kJ/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 | 359.65 | K | N/A | Simmons and Smith, 1959 | Uncertainty assigned by TRC = 2. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 34.3 ± 0.84 | kJ/mol | E | Wiberg, Lupton, et al., 1984 | see Lupton, 1970; ALS |
| ΔvapH° | 34.3 | kJ/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. | 663. | Bogoslovsky, Anvaer, et al., 1978 | |
| Capillary | Squalane | 60. | 662.8 | Schomburg and Dielmann, 1973 | Column length: 100. m; Column diameter: 0.25 mm |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, Notes
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
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, References
- 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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