Heptane
- Formula: C7H16
- Molecular weight: 100.2019
- IUPAC Standard InChI: InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
- IUPAC Standard InChIKey: IMNFDUFMRHMDMM-UHFFFAOYSA-N
- CAS Registry Number: 142-82-5
- 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. - Isotopologues:
- Other names: n-Heptane; Dipropylmethane; Heptyl hydride; Skellysolve C; n-C7H16; Eptani; Heptan; Heptanen; Gettysolve-C; NSC 62784
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -44.89 ± 0.19 | kcal/mol | Ccb | Prosen and Rossini, 1945 | ALS |
| ΔfH°gas | -45.24 | kcal/mol | N/A | Davies and Gilbert, 1941 | Value computed using ΔfHliquid° value of -225.9±1.3 kj/mol from Davies and Gilbert, 1941 and ΔvapH° value of 36.6 kj/mol from Prosen and Rossini, 1945.; DRB |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 30.509 | 200. | Scott D.W., 1974 | Recommended values were obtained from the consistent correlation scheme for alkanes [ Scott D.W., 1974, 2, Scott D.W., 1974]. This approach gives a better agreement with experimental data than the statistical thermodynamics calculation [ Pitzer K.S., 1944, Pitzer K.S., 1946].; GT |
| 36.960 | 273.15 | ||
| 39.48 ± 0.07 | 298.15 | ||
| 39.670 | 300. | ||
| 50.349 | 400. | ||
| 60.251 | 500. | ||
| 68.700 | 600. | ||
| 75.801 | 700. | ||
| 81.800 | 800. | ||
| 86.900 | 900. | ||
| 91.200 | 1000. | ||
| 94.900 | 1100. | ||
| 98.100 | 1200. | ||
| 101.00 | 1300. | ||
| 104.00 | 1400. | ||
| 106.00 | 1500. |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 45.770 ± 0.045 | 357.10 | Waddington G., 1947 | GT |
| 47.510 ± 0.048 | 373.15 | ||
| 50.370 ± 0.050 | 400.40 | ||
| 53.850 ± 0.055 | 434.35 | ||
| 57.000 ± 0.057 | 466.10 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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 as indicated in comments:
MS - José A. Martinho Simões
ALS - 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
(solution) +
(solution) = C14H21MnO2 (solution) +
(solution)
By formula: C8H5MnO3 (solution) + C7H16 (solution) = C14H21MnO2 (solution) + CO (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 47. ± 2. | kcal/mol | AVG | N/A | Average of 18 values; Individual data points |
(solution) +
(solution) = C12H16CrO5 (solution) +
(solution)
By formula: C6CrO6 (solution) + C7H16 (solution) = C12H16CrO5 (solution) + CO (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 27.1 ± 0.8 | kcal/mol | AVG | N/A | Average of 13 values; Individual data points |
C12H16CrO5 (solution) = (solution) + C5CrO5 (solution)
By formula: C12H16CrO5 (solution) = C7H16 (solution) + C5CrO5 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.61 | kcal/mol | N/A | Morse, Parker, et al., 1989 | solvent: Heptane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of Cr-CO bond in Cr(CO)6, 36.81 kcal/mol Lewis, Golden, et al., 1984, toghether with a PAC value for the reaction Cr(CO)6(solution) + n-C7H16(solution) = Cr(CO)5(n-C7H16)(solution) + CO(solution), 27.20 kcal/mol Morse, Parker, et al., 1989; MS |
| ΔrH° | 9.8 | kcal/mol | N/A | Yang, Vaida, et al., 1988 | solvent: Heptane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of Cr-CO bond in Cr(CO)6, 36.81 kcal/mol Lewis, Golden, et al., 1984, toghether with a PAC value for the reaction Cr(CO)6(solution) + n-C7H16(solution) = Cr(CO)5(n-C7H16)(solution) + CO(solution), 26.98 kcal/mol Yang, Peters, et al., 1986; MS |
+
=
By formula: H2 + C7H14 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -29.8 ± 0.5 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
C12H16MoO5 (solution) = C5MoO5 (solution) + (solution)
By formula: C12H16MoO5 (solution) = C5MoO5 (solution) + C7H16 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.70 | kcal/mol | N/A | Morse, Parker, et al., 1989 | solvent: Heptane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of Mo-CO bond in Mo(CO)6, 40.51 kcal/mol Lewis, Golden, et al., 1984, toghether with a PAC value for the reaction Mo(CO)6(solution) + n-C7H16(solution) = Mo(CO)5(n-C7H16)(solution) + CO(solution), 31.81 kcal/mol Morse, Parker, et al., 1989; MS |
C12H16O5W (solution) = C5O5W (solution) + (solution)
By formula: C12H16O5W (solution) = C5O5W (solution) + C7H16 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.4 | kcal/mol | N/A | Morse, Parker, et al., 1989 | solvent: Heptane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of W-CO bond in W(CO)6, 46.01 kcal/mol Lewis, Golden, et al., 1984, toghether with a PAC value for the reaction W(CO)6(solution) + n-C7H16(solution) = W(CO)5(n-C7H16)(solution) + CO(solution), 32.60 kcal/mol Morse, Parker, et al., 1989; MS |
(solution) +
(solution) = C12H16MoO5 (solution) +
(solution)
By formula: C6MoO6 (solution) + C7H16 (solution) = C12H16MoO5 (solution) + CO (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 32.3 ± 2.9 | kcal/mol | PAC | Johnson, Popov, et al., 1991 | solvent: Heptane; The reaction enthalpy relies on 0.67 for the quantum yield of CO dissociation.; MS |
| ΔrH° | 31.8 ± 1.3 | kcal/mol | PAC | Morse, Parker, et al., 1989 | solvent: Heptane; The reaction enthalpy relies on 0.67 for the quantum yield of CO dissociation; MS |
+
=
By formula: H2 + C7H14 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -28.32 ± 0.07 | kcal/mol | Chyd | Rogers and Dejroongruang, 1988 | liquid phase; solvent: Hydrocarbone; ALS |
| ΔrH° | -28.01 ± 0.68 | kcal/mol | Chyd | Rogers and Siddiqui, 1975 | liquid phase; solvent: n-Hexane; ALS |
=
By formula: C7H16 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -0.14 ± 0.23 | kcal/mol | Ccb | Prosen and Rossini, 1941 | liquid phase; Heat of Isomerization; ALS |
| ΔrH° | -0.52 ± 0.27 | kcal/mol | Ccb | Prosen and Rossini, 1941 | gas phase; Heat of Isomerization; ALS |
=
By formula: C7H16 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -3.42 ± 0.28 | kcal/mol | Ccb | Prosen and Rossini, 1941 | liquid phase; Heat of Isomerization; ALS |
| ΔrH° | -4.45 ± 0.32 | kcal/mol | Ccb | Prosen and Rossini, 1941 | gas phase; Heat of Isomerization; ALS |
=
By formula: C7H16 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -2.18 ± 0.26 | kcal/mol | Ccb | Prosen and Rossini, 1941 | liquid phase; Heat of Isomerization; ALS |
| ΔrH° | -2.80 ± 0.30 | kcal/mol | Ccb | Prosen and Rossini, 1941 | gas phase; Heat of Isomerization; ALS |
=
By formula: C7H16 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -2.54 ± 0.16 | kcal/mol | Ccb | Prosen and Rossini, 1941 | liquid phase; Heat of Isomerization; ALS |
| ΔrH° | -3.40 ± 0.22 | kcal/mol | Ccb | Prosen and Rossini, 1941 | gas phase; Heat of Isomerization; ALS |
=
By formula: C7H16 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -2.44 ± 0.15 | kcal/mol | Ccb | Prosen and Rossini, 1941 | liquid phase; Heat of Isomerization; ALS |
| ΔrH° | -3.24 ± 0.21 | kcal/mol | Ccb | Prosen and Rossini, 1941 | gas phase; Heat of Isomerization; ALS |
=
By formula: C7H16 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -3.00 ± 0.22 | kcal/mol | Ccb | Prosen and Rossini, 1941 | liquid phase; Heat of Isomerization; ALS |
| ΔrH° | -4.17 ± 0.27 | kcal/mol | Ccb | Prosen and Rossini, 1941 | gas phase; Heat of Isomerization; ALS |
(solution) +
(solution) = C12H16O5W (solution) +
(solution)
By formula: C6O6W (solution) + C7H16 (solution) = C12H16O5W (solution) + CO (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 32.60 ± 0.41 | kcal/mol | PAC | Morse, Parker, et al., 1989 | solvent: Heptane; The reaction enthalpy relies on 0.72 for the quantum yield of CO dissociation; MS |
(solution) +
(solution) = C15H22CrO2 (solution) +
(solution)
By formula: C9H6CrO3 (solution) + C7H16 (solution) = C15H22CrO2 (solution) + CO (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 32.79 ± 0.31 | kcal/mol | PAC | Burkey, 1990 | solvent: Heptane; The reaction enthalpy relies on 0.72 for the quantum yield of CO dissociation; MS |
(solution) +
(solution) = C15H21O3V (solution) +
(solution)
By formula: C9H5O4V (solution) + C7H16 (solution) = C15H21O3V (solution) + CO (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 25.6 ± 3.1 | kcal/mol | PAC | Johnson, Popov, et al., 1991 | solvent: Heptane; The reaction enthalpy relies on 0.80 for the quantum yield of CO dissociation.; MS |
C12H16CrO5 (solution) + (solution) =
(solution) + C10H5CrNO5 (solution)
By formula: C12H16CrO5 (solution) + C4H4N2 (solution) = C7H16 (solution) + C10H5CrNO5 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -20.1 ± 0.41 | kcal/mol | PAC | Yang, Vaida, et al., 1988 | solvent: Heptane; MS |
+
=
By formula: H2 + C7H14 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -27.3 ± 0.1 | kcal/mol | Chyd | Rogers and Dejroongruang, 1988 | liquid phase; solvent: Hydrocarbone; ALS |
+
=
By formula: H2 + C7H14 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -27.41 ± 0.07 | kcal/mol | Chyd | Rogers and Dejroongruang, 1988 | liquid phase; solvent: Hydrocarbone; ALS |
C14H21MnO2 (solution) + (solution) = C11H13MnO3 (solution) +
(solution)
By formula: C14H21MnO2 (solution) + C4H8O (solution) = C11H13MnO3 (solution) + C7H16 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -16.1 ± 1.4 | kcal/mol | PAC | Klassen, Selke, et al., 1990 | solvent: Heptane; MS |
+
=
By formula: H2 + C7H14 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -27.63 ± 0.1 | kcal/mol | Chyd | Rogers and Dejroongruang, 1988 | liquid phase; solvent: Hydrocarbone; ALS |
C12H16CrO5 (solution) + (solution) = C9H8CrO6 (solution) +
(solution)
By formula: C12H16CrO5 (solution) + C4H8O (solution) = C9H8CrO6 (solution) + C7H16 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -12.4 ± 1.2 | kcal/mol | PAC | Yang, Peters, et al., 1986 | solvent: Heptane; MS |
C12H16CrO5 (solution) + (solution) =
(solution) + C8H6CrO6 (solution)
By formula: C12H16CrO5 (solution) + C3H6O (solution) = C7H16 (solution) + C8H6CrO6 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -13.5 ± 1.2 | kcal/mol | PAC | Yang, Peters, et al., 1986 | solvent: Heptane; MS |
C12H16CrO5 (solution) + (solution) = C17H27CrNO5 (solution) +
(solution)
By formula: C12H16CrO5 (solution) + C12H27N (solution) = C17H27CrNO5 (solution) + C7H16 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -12.2 ± 1.2 | kcal/mol | PAC | Yang, Peters, et al., 1986 | solvent: Heptane; MS |
C12H16CrO5 (solution) + (solution) = C11H12CrO5 (solution) +
(solution)
By formula: C12H16CrO5 (solution) + C6H12 (solution) = C11H12CrO5 (solution) + C7H16 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -12.2 ± 1.2 | kcal/mol | PAC | Yang, Peters, et al., 1986 | solvent: Heptane; MS |
C14H21MnO2 (solution) + (solution) = C10H11MnO3 (solution) +
(solution)
By formula: C14H21MnO2 (solution) + C3H6O (solution) = C10H11MnO3 (solution) + C7H16 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -17.4 ± 1.0 | kcal/mol | PAC | Klassen, Selke, et al., 1990 | solvent: Heptane; MS |
C14H21MnO2 (solution) + (solution) = C8H7Cl2MnO2 (solution) +
(solution)
By formula: C14H21MnO2 (solution) + CH2Cl2 (solution) = C8H7Cl2MnO2 (solution) + C7H16 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -9.0 ± 1.0 | kcal/mol | PAC | Yang and Yang, 1992 | solvent: Heptane; MS |
C14H21MnO2 (solution) + (solution) = C8H7Br2MnO2 (solution) +
(solution)
By formula: C14H21MnO2 (solution) + CH2Br2 (solution) = C8H7Br2MnO2 (solution) + C7H16 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -12.2 ± 1.2 | kcal/mol | PAC | Yang and Yang, 1992 | solvent: Heptane; MS |
C12H16CrO5 (solution) + (solution) = C7H5CrO6 (solution) +
(solution)
By formula: C12H16CrO5 (solution) + C2H6O (solution) = C7H5CrO6 (solution) + C7H16 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -13.8 ± 1.2 | kcal/mol | PAC | Yang, Peters, et al., 1986 | solvent: Heptane; MS |
C12H16CrO5 (solution) + (solution) = C8H6CrNO5 (solution) +
(solution)
By formula: C12H16CrO5 (solution) + C2H3N (solution) = C8H6CrNO5 (solution) + C7H16 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -18.2 ± 1.2 | kcal/mol | PAC | Yang, Peters, et al., 1986 | solvent: Heptane; MS |
+ 2
=
By formula: C7H12 + 2H2 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -65.11 ± 0.31 | kcal/mol | Chyd | Rogers, Dagdagan, et al., 1979 | liquid phase; solvent: Hexane; ALS |
2 +
=
By formula: 2H2 + C7H12 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -64.63 ± 0.36 | kcal/mol | Chyd | Rogers, Dagdagan, et al., 1979 | liquid phase; solvent: Hexane; ALS |
2 +
=
By formula: 2H2 + C7H12 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -69.65 ± 0.39 | kcal/mol | Chyd | Rogers, Dagdagan, et al., 1979 | liquid phase; solvent: Hexane; ALS |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry 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 evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 9.93 ± 0.10 | eV | N/A | N/A | L |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.15 | EST | Luo and Pacey, 1992 | LL |
| 9.93 ± 0.10 | EVAL | Lias, 1982 | LBLHLM |
| 9.83 ± 0.15 | EQ | Mautner(Meot-Ner), Sieck, et al., 1981 | LLK |
| 9.91 | EQ | Lias, Ausloos, et al., 1976 | LLK |
| 9.90 ± 0.05 | PI | Brehm, 1966 | RDSH |
| 10.16 | PE | Turner and Al-Joboury, 1964 | RDSH |
| 10.08 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CH3+ | 27.9 ± 0.2 | ? | EI | Olmsted, Street, et al., 1964 | RDSH |
| C2H5+ | 12.89 | ? | EI | Potzinger and Bunau, 1969 | RDSH |
| C3H5+ | 12.7 ± 0.1 | ? | PI | Brehm, 1966 | RDSH |
| C3H6+ | 10.7 ± 0.1 | C4H10 | PI | Brehm, 1966 | RDSH |
| C3H6+ | 10.97 ± 0.08 | C4H10 | PI | Steiner, Giese, et al., 1961 | RDSH |
| C3H7+ | 11.58 | ? | EI | Potzinger and Bunau, 1969 | RDSH |
| C3H7+ | 11.05 ± 0.05 | ? | PI | Brehm, 1966 | RDSH |
| C4H7+ | 11.5 ± 0.1 | ? | PI | Brehm, 1966 | RDSH |
| C4H8+ | 10.56 ± 0.05 | C3H8 | PI | Brehm, 1966 | RDSH |
| C4H8+ | 10.97 ± 0.03 | C3H8 | PI | Steiner, Giese, et al., 1961 | RDSH |
| C4H9+ | 10.72 | C3H7 | EI | Potzinger and Bunau, 1969 | RDSH |
| C4H9+ | 10.56 ± 0.05 | C3H7 | PI | Brehm, 1966 | RDSH |
| C4H9+ | 11.19 ± 0.07 | C3H7 | PI | Steiner, Giese, et al., 1961 | RDSH |
| C5H10+ | 10.33 | C2H6 | EI | Lewis and Hamill, 1970 | RDSH |
| C5H10+ | 10.40 ± 0.05 | C2H6 | PI | Brehm, 1966 | RDSH |
| C5H10+ | 11.035 ± 0.025 | C2H6 | PI | Steiner, Giese, et al., 1961 | RDSH |
| C5H11+ | 10.66 | C2H5 | EI | Potzinger and Bunau, 1969 | RDSH |
| C5H11+ | 10.43 ± 0.05 | C2H5 | PI | Brehm, 1966 | RDSH |
| C5H11+ | 10.96 ± 0.085 | C2H5 | PI | Steiner, Giese, et al., 1961 | RDSH |
| C6H12+ | 11.145 ± 0.035 | CH4 | PI | Steiner, Giese, et al., 1961 | RDSH |
| C6H13+ | 10.7 ± 0.1 | CH3 | PI | Brehm, 1966 | RDSH |
| C6H13+ | 10.93 ± 0.11 | CH3 | PI | Steiner, Giese, et al., 1961 | RDSH |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics 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: 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 | D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY |
| NIST MS number | 61276 |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics 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.
Prosen and Rossini, 1945
Prosen, E.J.; Rossini, F.D.,
Heats of combustion and formation of the paraffin hydrocarbons at 25° C,
J. Res. NBS, 1945, 263-267. [all data]
Davies and Gilbert, 1941
Davies, G.F.; Gilbert, E.C.,
Heats of combustion and formation of the nine isomeric heptanes in the liquid state,
J. Am. Chem. Soc., 1941, 63, 2730-2732. [all data]
Scott D.W., 1974
Scott D.W.,
Chemical Thermodynamic Properties of Hydrocarbons and Related Substances. Properties of the Alkane Hydrocarbons, C1 through C10 in the Ideal Gas State from 0 to 1500 K. U.S. Bureau of Mines, Bulletin 666, 1974. [all data]
Scott D.W., 1974, 2
Scott D.W.,
Correlation of the chemical thermodynamic properties of alkane hydrocarbons,
J. Chem. Phys., 1974, 60, 3144-3165. [all data]
Pitzer K.S., 1944
Pitzer K.S.,
Thermodynamics of gaseous paraffins. Specific heat and related properties,
Ind. Eng. Chem., 1944, 36, 829-831. [all data]
Pitzer K.S., 1946
Pitzer K.S.,
The entropies and related properties of branched paraffin hydrocarbons,
Chem. Rev., 1946, 39, 435-447. [all data]
Waddington G., 1947
Waddington G.,
An improved flow calorimeter. Experimental vapor heat capacities and heats of vaporization of n-heptane and 2,2,3-trimethylbutane,
J. Am. Chem. Soc., 1947, 69, 22-30. [all data]
Morse, Parker, et al., 1989
Morse, J.M., Jr.; Parker, G.H.; Burkey, T.J.,
Organometallics, 1989, 8, 2471. [all data]
Lewis, Golden, et al., 1984
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Organometallic bond dissociation energies: Laser pyrolysis of Fe(CO)5, Cr(CO)6, Mo(CO)6, and W(CO)6,
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Johnson, Popov, et al., 1991
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Rogers and Dejroongruang, 1988
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Rogers and Siddiqui, 1975
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Heats of hydrogenation of large molecules. I. Esters of unsaturated fatty acids,
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Prosen and Rossini, 1941
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Heats of isomerization of the nine heptanes,
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Burkey, 1990
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Klassen, Selke, et al., 1990
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Rogers, Dagdagan, et al., 1979
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Turner and Al-Joboury, 1964
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Watanabe, Nakayama, et al., 1962
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Notes
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- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas IE (evaluated) Recommended ionization energy ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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