1-Heptene
- Formula: C7H14
- Molecular weight: 98.1861
- IUPAC Standard InChI: InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3
- IUPAC Standard InChIKey: ZGEGCLOFRBLKSE-UHFFFAOYSA-N
- CAS Registry Number: 592-76-7
- 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. - Other names: n-Hept-1-ene; 1-n-Heptene; 1-C7H14; α-Heptylene; Heptylene; NSC 74130; heptene-1; hept-1-ene
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- 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.
Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -63.0 | kJ/mol | N/A | Wiberg, Wasserman, et al., 1984 | Value computed using ΔfHliquid° value of -97.7±0.6 kj/mol from Wiberg, Wasserman, et al., 1984 and ΔvapH° value of 34.7 kj/mol from Rockenfeller and Rossini, 1961.; DRB |
| ΔfH°gas | -63.7 | kJ/mol | N/A | Good, 1976 | Value computed using ΔfHliquid° value of -98.4±0.9 kj/mol from Good, 1976 and ΔvapH° value of 34.7 kj/mol from Rockenfeller and Rossini, 1961.; DRB |
| ΔfH°gas | -62.30 | kJ/mol | Ccb | Rockenfeller and Rossini, 1961 | ALS |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Reaction 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:
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 |
|---|---|---|---|---|---|
| ΔfH°liquid | -97.70 ± 0.63 | kJ/mol | Eqk | Wiberg, Wasserman, et al., 1984 | Trifluoroacetolysis, hrxn[kcal/mol]=-11.808±0.015; ALS |
| ΔfH°liquid | -98.37 ± 0.88 | kJ/mol | Ccb | Good, 1976 | ALS |
| ΔfH°liquid | -97.0 ± 1.2 | kJ/mol | Ccb | Rockenfeller and Rossini, 1961 | Reanalyzed by Cox and Pilcher, 1970, Original value = -97.95 kJ/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -4657.00 ± 0.75 | kJ/mol | Ccb | Good, 1976 | Corresponding ΔfHºliquid = -98.37 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -4658.3 ± 1.2 | kJ/mol | Ccb | Rockenfeller and Rossini, 1961 | Corresponding ΔfHºliquid = -97.03 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -4650.98 ± 0.79 | kJ/mol | Ccb | Coops, Mulder, et al., 1947 | Reanalyzed by Cox and Pilcher, 1970, Original value = -4642. ± 4. kJ/mol; See Coops, Mulder, et al., 1946; Corresponding ΔfHºliquid = -104.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 327.65 | J/mol*K | N/A | McCullough, Finke, et al., 1957 | DH |
| S°liquid | 328.9 | J/mol*K | N/A | Parks, Todd, et al., 1936 | Extrapolation below 80 K, 58.58 J/mol*K.; DH |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 211.79 | 298.15 | McCullough, Finke, et al., 1957 | T = 11 to 360 K.; DH |
| 212.84 | 295.1 | Parks, Todd, et al., 1936 | T = 80 to 295 K. Value is unsmoothed experimental datum.; DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, 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 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° | -125. ± 2. | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
=
+
By formula: C7H16O = C7H14 + H2O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 33.4 ± 0.2 | kJ/mol | Cm | Wiberg, Wasserman, et al., 1984 | liquid phase; Heat of hydration |
=
+
By formula: C7H16O = C7H14 + H2O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 33.2 ± 0.2 | kJ/mol | Cm | Wiberg, Wasserman, et al., 1984 | liquid phase; Heat of hydration |
=
+
By formula: C7H16O = C7H14 + H2O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 32.8 ± 0.2 | kJ/mol | Cm | Wiberg, Wasserman, et al., 1984 | liquid phase; Heat of hydration |
+
= C7H14Br2
By formula: C7H14 + Br2 = C7H14Br2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -126.5 | kJ/mol | Cm | Lister, 1941 | gas phase; Heat of bromination at 300 K |
=
By formula: C7H14 = C7H14
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -10.9 ± 0.4 | kJ/mol | Eqk | Kabo, Andreevskii, et al., 1967 | gas phase; Heat of isomerization |
=
By formula: C7H14 = C7H14
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -10. ± 0.2 | kJ/mol | Eqk | Kabo, Andreevskii, et al., 1967 | gas phase; Heat of isomerization |
=
By formula: C7H14 = C7H14
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -7.6 ± 1.1 | kJ/mol | Eqk | Kabo, Andreevskii, et al., 1967 | gas phase; Heat of isomerization |
=
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 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, 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]
Rockenfeller and Rossini, 1961
Rockenfeller, J.D.; Rossini, F.D.,
Heats of combustion, isomerization, and formation of selected C7, C8, and C10 monoolefin hydrocarbons,
J. Phys. Chem., 1961, 65, 267-272. [all data]
Good, 1976
Good, W.D.,
The enthalpies of formation of five isomeric heptenes,
J. Chem. Thermodyn., 1976, 8, 67-71. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Coops, Mulder, et al., 1947
Coops, J.; Mulder, D.; Dienske, J.W.; Smittenberg, J.,
Researches on heat of combustion IV. Technique for the determination of the heats of combustion of volatile liquids,
Recl. Trav. Chim. Pays-Bas, 1947, 66, 153-160. [all data]
Coops, Mulder, et al., 1946
Coops, J.; Mulder, D.; Dienske, J.W.; Smittenberg, J.,
The heats of combustion of a number of hydrocarbons,
Rec. Trav. Chim. Pays/Bas, 1946, 65, 128. [all data]
McCullough, Finke, et al., 1957
McCullough, J.P.; Finke, H.L.; Gross, M.E.; Messerly, J.F.; Waddington, G.,
Low temperature calorimetric studies of seven 1-olefins: effect of orientational disorder in the solid state,
J. Phys. Chem., 1957, 61, 289-301. [all data]
Parks, Todd, et al., 1936
Parks, G.S.; Todd, S.S.; Shomate, C.H.,
Thermal data on organic compounds. XVII. Some heat capacity, entropy and free energy data for five higher olefins,
J. Am. Chem. Soc., 1936, 58, 2505-2508. [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]
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, Reaction thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions 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 - 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.