(Z)-2-Heptene
- Formula: C7H14
- Molecular weight: 98.1861
- IUPAC Standard InChIKey: OTTZHAVKAVGASB-HYXAFXHYSA-N
- CAS Registry Number: 6443-92-1
- 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. - Stereoisomers:
- Other names: (Z)-2-C7H14; cis-2-Heptene; 2-Heptene, (Z)-; (Z)-hept-2-ene
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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: Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -70.7 | kJ/mol | N/A | Wiberg, Wasserman, et al., 1984 | Value computed using ΔfHliquid° value of -105.9±0.63 kj/mol from Wiberg, Wasserman, et al., 1984 and ΔvapH° value of 35.2 kj/mol from alkenes correlation. |
ΔfH°gas | -69.6 ± 0.7 | kJ/mol | Eqk | Wiberg, Wasserman, et al., 1984 | Value computed using ΔfHliquid° from Wiberg, Wasserman, et al., 1984 and ΔvapH° value of 36.3 kJ/mol from Steele and Chirico, 1993. |
ΔfH°gas | -69.9 | kJ/mol | N/A | Good, 1976 | Value computed using ΔfHliquid° value of -105.1±0.92 kj/mol from Good, 1976 and ΔvapH° value of 35.2 kj/mol from alkenes correlation. |
ΔfH°gas | -68.8 ± 1.0 | kJ/mol | Ccb | Good, 1976 | Value computed using ΔfHliquid° from Good, 1976 and ΔvapH° value of 36.3 kJ/mol from Steele and Chirico, 1993. |
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 | -105.9 ± 0.63 | kJ/mol | Eqk | Wiberg, Wasserman, et al., 1984 | Trifluoroacetolysis, hrxn[kcal/mol]=-9.827±0.021 |
ΔfH°liquid | -105.1 ± 0.92 | kJ/mol | Ccb | Good, 1976 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -4650.22 ± 0.79 | kJ/mol | Ccb | Good, 1976 | Corresponding ΔfHºliquid = -105.1 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:
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 372. ± 2. | K | AVG | N/A | Average of 12 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 38.6 | kJ/mol | GS | Verevkin, Wandschneider, et al., 2000 | Based on data from 276. to 304. K.; AC |
ΔvapH° | 36.0 | kJ/mol | N/A | Reid, 1972 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
39.0 ± 0.3 | 290. | GS | Verevkin, Wandschneider, et al., 2000 | Based on data from 276. to 304. K.; AC |
35.3 | 330. | A | Stephenson and Malanowski, 1987 | Based on data from 315. to 372. K.; AC |
34.6 | 347. | N/A | Eisen and Orav, 1970 | Based on data from 332. to 371. K. See also Boublik, Fried, et al., 1984.; AC |
Reaction 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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: H2 + C7H14 = C7H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -115.6 ± 0.4 | kJ/mol | Chyd | Rogers and Dejroongruang, 1988 | liquid phase; solvent: Hydrocarbone |
By formula: C7H14 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -4. | kJ/mol | Ciso | Strohmeier and Rehder-Stirnweiss, 1970 | liquid phase; Isomerization over RhH(CO)(PPh3)3 |
By formula: C7H14 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -7.6 ± 0.1 | kJ/mol | Eqk | Kabo, Andreevskii, et al., 1967 | gas phase; Heat of isomerization |
Mass spectrum (electron ionization)
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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
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center |
NIST MS number | 343731 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wiberg, Wasserman, et al., 1984
Wiberg, K.B.; Wasserman, D.J.; Martin, E.,
Enthalpies of hydration of alkenes. 2. The n-heptenes and n-pentenes,
J. Phys. Chem., 1984, 88, 3684-3688. [all data]
Steele and Chirico, 1993
Steele, W.V.; Chirico, R.D.,
Thermodynamic properties of alkenes (mono-olefins larger than C4),
J. Phys. Chem. Ref. Data, 1993, 22, 377-430. [all data]
Good, 1976
Good, W.D.,
The enthalpies of formation of five isomeric heptenes,
J. Chem. Thermodyn., 1976, 8, 67-71. [all data]
Verevkin, Wandschneider, et al., 2000
Verevkin, Sergey P.; Wandschneider, Dirk; Heintz, Andreas,
Determination of Vaporization Enthalpies of Selected Linear and Branched C 7 , C 8 , C 9 , C 11 , and C 12 Monoolefin Hydrocarbons from Transpiration and Correlation Gas-Chromatography Methods,
J. Chem. Eng. Data, 2000, 45, 4, 618-625, https://doi.org/10.1021/je990297k
. [all data]
Reid, 1972
Reid, Robert C.,
Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00,
AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637
. [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]
Eisen and Orav, 1970
Eisen, O.; Orav, A.,
Eesti NSV Tead. Akad. Toim. Keem. Geol., 1970, 19, 3, 202. [all data]
Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E.,
The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]
Rogers and Dejroongruang, 1988
Rogers, D.W.; Dejroongruang, K.,
Enthalpies of hydrogenation of the n-heptenes and the methylhexenes,
J. Chem. Thermodyn., 1988, 20, 675-680. [all data]
Strohmeier and Rehder-Stirnweiss, 1970
Strohmeier, W.; Rehder-Stirnweiss, W.,
Isomerization of heptene over RhH(CO)(PPh3)3,
J. Organomet. Chem., 1970, 22, 27-28. [all data]
Kabo, Andreevskii, et al., 1967
Kabo, G.Ya.; Andreevskii, D.N.; Savinetskaya, G.A.,
Isomerization equilibrium of n-monochloroheptanes and n-heptenes,
Neftekhimiya, 1967, 7, 364-368. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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 ΔrH° Enthalpy of reaction at standard conditions 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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