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
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- Gas Phase Kinetics Database
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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, References, Notes

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
Δ_fH°_gas	-44.89 ± 0.19	kcal/mol	Ccb	Prosen and Rossini, 1945	ALS
Δ_fH°_gas	-45.24	kcal/mol	N/A	Davies and Gilbert, 1941	Value computed using Δ_fH_liquid° value of -225.9±1.3 kj/mol from Davies and Gilbert, 1941 and Δ_vapH° value of 36.6 kj/mol from Prosen and Rossini, 1945.; DRB

Constant pressure heat capacity of gas

C_p,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

C_p,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

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References, Notes

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
Δ_fH°_liquid	-53.63 ± 0.19	kcal/mol	Ccb	Prosen and Rossini, 1945	ALS
Δ_fH°_liquid	-53.99 ± 0.30	kcal/mol	Ccb	Davies and Gilbert, 1941	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-1151. ± 2.	kcal/mol	AVG	N/A	Average of 7 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	78.530	cal/mol*K	N/A	Huffman, Gross, et al., 1961	DH
S°_liquid	78.389	cal/mol*K	N/A	Douglas, Furukawa, et al., 1954	DH
S°_liquid	78.599	cal/mol*K	N/A	Pitzer K.S., 1940	DH
S°_liquid	78.90	cal/mol*K	N/A	Huffman, Parks, et al., 1930	Extrapolation below 90 K, 71.00 J/mol*K. Based on previously published specific heat data, 30PAR/HUF.; DH
S°_liquid	78.01	cal/mol*K	N/A	Parks, Huffman, et al., 1930	Extrapolation below 90 K, 71.00 J/mol*K.; DH

Constant pressure heat capacity of liquid

C_p,liquid (cal/mol*K)	Temperature (K)	Reference	Comment
53.690	298.15	Andreoli-Ball, Patterson, et al., 1988	DH
53.709	298.15	Saito and Tanaka, 1988	DH
53.712	298.15	Shiohama, Ogawa, et al., 1988	DH
53.270	293.15	Kalali, Kohler, et al., 1987	T = 293.15, 313.15 K.; DH
53.7096	298.15	Tanaka, 1987	DH
53.810	300.	Van Miltenburg, Van den Berg, et al., 1987	T = 10 to 350 K.; DH
53.707	298.15	Wilhelm, Inglese, et al., 1987	DH
53.7239	298.15	Baluja, Bravo, et al., 1985	DH
53.7239	298.15	Lainez, Rodrigo, et al., 1985	DH
53.7120	298.15	Tanaka, Nakamichi, et al., 1985	DH
53.707	298.15	Grolier, Inglese, et al., 1984	DH
53.724	298.15	Roux, Grolier, et al., 1984	DH
53.7199	298.15	Kimura, Treszczanowicz, et al., 1983	DH
53.855	300.	Tan, Zhou, et al., 1983	T = 220 to 380 K.; DH
53.73	298.15	Tanaka, 1982	DH
53.54	298.	Zaripov, 1982	T = 298, 323, 363 K.; DH
53.702	298.15	Grolier, Inglese, et al., 1981	DH
53.685	297.860	Kalinowska, Jedlinska, et al., 1980	T = 185 to 300 K. Unsmoothed experimental datum.; DH
53.695	298.15	Brown and Ziegler, 1979	T = 183 to 302 K. Results as equation only.; DH
53.92	300.	Czarnota, 1979	DH
53.68	298.15	Grolier, Hamedi, et al., 1979	DH
52.581	285.	Schaake, Offringa, et al., 1979	T = 90 to 285 K.; DH
54.13	333.15	Woycicka and Kalinowska, 1978	DH
60.95	298.15	Meijer, Blok, et al., 1977	T = 160 to 350 K.; DH
53.7063	298.15	Fortier and Benson, 1976	DH
53.39	298.	Grigor'ev, Rastorguev, et al., 1975	T = 300 to 463 K.; DH
53.583	298.15	Holzhauer and Ziegler, 1975	T = 182 to 312 K. Cp = 866.18820 - 9.9628490T + 0.054561085T2 - 0.00013079634T3 + 1.1957392x10-7T4 J/mol*K.; DH
54.142	303.15	Woycicka and Kalinowska, 1975	DH
53.85	298.15	Diaz pena and Renuncio, 1974	T = 298 to 323 K.; DH
54.142	298.15	Kalinowska and Woycicka, 1973	DH
50.10	250.	Van Miltenburg, 1972	T = 130 to 263 K.; DH
78.540	298.15	Oetting F.L., 1963	DH
53.760	298.15	Huffman, Gross, et al., 1961	T = 10 to 300 K.; DH
53.760	298.15	McCullough and Messerly, 1961	T = 10 to 370 K. Csat(liq) = 56.582 - 0.14490T + 5.7813x10-4T2 - 4.1667x10-7T3 cal/mol*K.; DH
59.11	332.	Swietoslawski and Zielenkiewicz, 1958	Mean value 22 to 96 C.; DH
55.719	299.8	Helfrey, Heiser, et al., 1955	T = 70 to 220 F.; DH
53.714	298.15	Douglas, Furukawa, et al., 1954	T = 20 to 520 K.; DH
53.714	298.15	Ginnings and Furukawa, 1953	T = 25 to 520 K.; DH
53.740	298.15	Osborne and Ginnings, 1947	T = 278 to 318 K.; DH
53.681	296.5	Pitzer K.S., 1940	T = 15 to 318 K. Value is unsmoothed experimental datum.; DH
50.50	298.	Bykov, 1939	DH
50.41	300.8	Phillip, 1939	DH
53.30	298.	Vold, 1937	Cp given as 0.532 cal/g*K.; DH
53.61	298.1	Richards and Wallace, 1932	T = 293 to 323 K.; DH
53.11	299.2	Parks, Huffman, et al., 1930	T = 90 to 300 K. Value is unsmoothed experimental datum.; DH
51.86	303.	Willams and Daniels, 1924	T = 303 to 350 K. Equation only.; DH

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes

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) + Heptane (solution) = C₁₄H₂₁MnO₂ (solution) + (solution)

By formula: C₈H₅MnO₃ (solution) + C₇H₁₆ (solution) = C₁₄H₂₁MnO₂ (solution) + CO (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	47. ± 2.	kcal/mol	AVG	N/A	Average of 18 values; Individual data points

(solution) + Heptane (solution) = C₁₂H₁₆CrO₅ (solution) + (solution)

By formula: C₆CrO₆ (solution) + C₇H₁₆ (solution) = C₁₂H₁₆CrO₅ (solution) + CO (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	27.1 ± 0.8	kcal/mol	AVG	N/A	Average of 13 values; Individual data points

C₁₂H₁₆CrO₅ (solution) = Heptane (solution) + C₅CrO₅ (solution)

By formula: C₁₂H₁₆CrO₅ (solution) = C₇H₁₆ (solution) + C₅CrO₅ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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
Δ_rH°	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

+ = Heptane

By formula: H₂ + C₇H₁₄ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-29.8 ± 0.5	kcal/mol	AVG	N/A	Average of 6 values; Individual data points

C₁₂H₁₆MoO₅ (solution) = C₅MoO₅ (solution) + Heptane (solution)

By formula: C₁₂H₁₆MoO₅ (solution) = C₅MoO₅ (solution) + C₇H₁₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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) + Heptane (solution)

By formula: C₁₂H₁₆O₅W (solution) = C₅O₅W (solution) + C₇H₁₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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) + Heptane (solution) = C₁₂H₁₆MoO₅ (solution) + (solution)

By formula: C₆MoO₆ (solution) + C₇H₁₆ (solution) = C₁₂H₁₆MoO₅ (solution) + CO (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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
Δ_rH°	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

+ = Heptane

By formula: H₂ + C₇H₁₄ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-28.32 ± 0.07	kcal/mol	Chyd	Rogers and Dejroongruang, 1988	liquid phase; solvent: Hydrocarbone; ALS
Δ_rH°	-28.01 ± 0.68	kcal/mol	Chyd	Rogers and Siddiqui, 1975	liquid phase; solvent: n-Hexane; ALS

Heptane =

By formula: C₇H₁₆ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-0.14 ± 0.23	kcal/mol	Ccb	Prosen and Rossini, 1941	liquid phase; Heat of Isomerization; ALS
Δ_rH°	-0.52 ± 0.27	kcal/mol	Ccb	Prosen and Rossini, 1941	gas phase; Heat of Isomerization; ALS

Heptane =

By formula: C₇H₁₆ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-3.42 ± 0.28	kcal/mol	Ccb	Prosen and Rossini, 1941	liquid phase; Heat of Isomerization; ALS
Δ_rH°	-4.45 ± 0.32	kcal/mol	Ccb	Prosen and Rossini, 1941	gas phase; Heat of Isomerization; ALS

Heptane =

By formula: C₇H₁₆ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-2.18 ± 0.26	kcal/mol	Ccb	Prosen and Rossini, 1941	liquid phase; Heat of Isomerization; ALS
Δ_rH°	-2.80 ± 0.30	kcal/mol	Ccb	Prosen and Rossini, 1941	gas phase; Heat of Isomerization; ALS

Heptane =

By formula: C₇H₁₆ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-2.54 ± 0.16	kcal/mol	Ccb	Prosen and Rossini, 1941	liquid phase; Heat of Isomerization; ALS
Δ_rH°	-3.40 ± 0.22	kcal/mol	Ccb	Prosen and Rossini, 1941	gas phase; Heat of Isomerization; ALS

Heptane =

By formula: C₇H₁₆ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-2.44 ± 0.15	kcal/mol	Ccb	Prosen and Rossini, 1941	liquid phase; Heat of Isomerization; ALS
Δ_rH°	-3.24 ± 0.21	kcal/mol	Ccb	Prosen and Rossini, 1941	gas phase; Heat of Isomerization; ALS

Heptane =

By formula: C₇H₁₆ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-3.00 ± 0.22	kcal/mol	Ccb	Prosen and Rossini, 1941	liquid phase; Heat of Isomerization; ALS
Δ_rH°	-4.17 ± 0.27	kcal/mol	Ccb	Prosen and Rossini, 1941	gas phase; Heat of Isomerization; ALS

(solution) + Heptane (solution) = C₁₂H₁₆O₅W (solution) + (solution)

By formula: C₆O₆W (solution) + C₇H₁₆ (solution) = C₁₂H₁₆O₅W (solution) + CO (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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) + Heptane (solution) = C₁₅H₂₂CrO₂ (solution) + (solution)

By formula: C₉H₆CrO₃ (solution) + C₇H₁₆ (solution) = C₁₅H₂₂CrO₂ (solution) + CO (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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) + Heptane (solution) = C₁₅H₂₁O₃V (solution) + (solution)

By formula: C₉H₅O₄V (solution) + C₇H₁₆ (solution) = C₁₅H₂₁O₃V (solution) + CO (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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) = Heptane (solution) + C₁₀H₅CrNO₅ (solution)

By formula: C₁₂H₁₆CrO₅ (solution) + C₄H₄N₂ (solution) = C₇H₁₆ (solution) + C₁₀H₅CrNO₅ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-20.1 ± 0.41	kcal/mol	PAC	Yang, Vaida, et al., 1988	solvent: Heptane; MS

+ = Heptane

By formula: H₂ + C₇H₁₄ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-27.3 ± 0.1	kcal/mol	Chyd	Rogers and Dejroongruang, 1988	liquid phase; solvent: Hydrocarbone; ALS

+ = Heptane

By formula: H₂ + C₇H₁₄ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-27.41 ± 0.07	kcal/mol	Chyd	Rogers and Dejroongruang, 1988	liquid phase; solvent: Hydrocarbone; ALS

C₁₄H₂₁MnO₂ (solution) + (solution) = C₁₁H₁₃MnO₃ (solution) + Heptane (solution)

By formula: C₁₄H₂₁MnO₂ (solution) + C₄H₈O (solution) = C₁₁H₁₃MnO₃ (solution) + C₇H₁₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-16.1 ± 1.4	kcal/mol	PAC	Klassen, Selke, et al., 1990	solvent: Heptane; MS

+ = Heptane

By formula: H₂ + C₇H₁₄ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-27.63 ± 0.1	kcal/mol	Chyd	Rogers and Dejroongruang, 1988	liquid phase; solvent: Hydrocarbone; ALS

C₁₂H₁₆CrO₅ (solution) + (solution) = C₉H₈CrO₆ (solution) + Heptane (solution)

By formula: C₁₂H₁₆CrO₅ (solution) + C₄H₈O (solution) = C₉H₈CrO₆ (solution) + C₇H₁₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-12.4 ± 1.2	kcal/mol	PAC	Yang, Peters, et al., 1986	solvent: Heptane; MS

C₁₂H₁₆CrO₅ (solution) + (solution) = Heptane (solution) + C₈H₆CrO₆ (solution)

By formula: C₁₂H₁₆CrO₅ (solution) + C₃H₆O (solution) = C₇H₁₆ (solution) + C₈H₆CrO₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-13.5 ± 1.2	kcal/mol	PAC	Yang, Peters, et al., 1986	solvent: Heptane; MS

C₁₂H₁₆CrO₅ (solution) + (solution) = C₁₇H₂₇CrNO₅ (solution) + Heptane (solution)

By formula: C₁₂H₁₆CrO₅ (solution) + C₁₂H₂₇N (solution) = C₁₇H₂₇CrNO₅ (solution) + C₇H₁₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-12.2 ± 1.2	kcal/mol	PAC	Yang, Peters, et al., 1986	solvent: Heptane; MS

C₁₂H₁₆CrO₅ (solution) + (solution) = C₁₁H₁₂CrO₅ (solution) + Heptane (solution)

By formula: C₁₂H₁₆CrO₅ (solution) + C₆H₁₂ (solution) = C₁₁H₁₂CrO₅ (solution) + C₇H₁₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-12.2 ± 1.2	kcal/mol	PAC	Yang, Peters, et al., 1986	solvent: Heptane; MS

C₁₄H₂₁MnO₂ (solution) + (solution) = C₁₀H₁₁MnO₃ (solution) + Heptane (solution)

By formula: C₁₄H₂₁MnO₂ (solution) + C₃H₆O (solution) = C₁₀H₁₁MnO₃ (solution) + C₇H₁₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-17.4 ± 1.0	kcal/mol	PAC	Klassen, Selke, et al., 1990	solvent: Heptane; MS

C₁₄H₂₁MnO₂ (solution) + (solution) = C₈H₇Cl₂MnO₂ (solution) + Heptane (solution)

By formula: C₁₄H₂₁MnO₂ (solution) + CH₂Cl₂ (solution) = C₈H₇Cl₂MnO₂ (solution) + C₇H₁₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-9.0 ± 1.0	kcal/mol	PAC	Yang and Yang, 1992	solvent: Heptane; MS

C₁₄H₂₁MnO₂ (solution) + (solution) = C₈H₇Br₂MnO₂ (solution) + Heptane (solution)

By formula: C₁₄H₂₁MnO₂ (solution) + CH₂Br₂ (solution) = C₈H₇Br₂MnO₂ (solution) + C₇H₁₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-12.2 ± 1.2	kcal/mol	PAC	Yang and Yang, 1992	solvent: Heptane; MS

C₁₂H₁₆CrO₅ (solution) + (solution) = C₇H₅CrO₆ (solution) + Heptane (solution)

By formula: C₁₂H₁₆CrO₅ (solution) + C₂H₆O (solution) = C₇H₅CrO₆ (solution) + C₇H₁₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-13.8 ± 1.2	kcal/mol	PAC	Yang, Peters, et al., 1986	solvent: Heptane; MS

C₁₂H₁₆CrO₅ (solution) + (solution) = C₈H₆CrNO₅ (solution) + Heptane (solution)

By formula: C₁₂H₁₆CrO₅ (solution) + C₂H₃N (solution) = C₈H₆CrNO₅ (solution) + C₇H₁₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-18.2 ± 1.2	kcal/mol	PAC	Yang, Peters, et al., 1986	solvent: Heptane; MS

+ 2 = Heptane

By formula: C₇H₁₂ + 2H₂ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-65.11 ± 0.31	kcal/mol	Chyd	Rogers, Dagdagan, et al., 1979	liquid phase; solvent: Hexane; ALS

2 + = Heptane

By formula: 2H₂ + C₇H₁₂ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-64.63 ± 0.36	kcal/mol	Chyd	Rogers, Dagdagan, et al., 1979	liquid phase; solvent: Hexane; ALS

2 + = Heptane

By formula: 2H₂ + C₇H₁₂ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-69.65 ± 0.39	kcal/mol	Chyd	Rogers, Dagdagan, et al., 1979	liquid phase; solvent: Hexane; ALS

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes

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]

Huffman, Gross, et al., 1961
Huffman, H.M.; Gross, M.E.; Scott, D.W.; McCullough, I.P., Low temperature thermodynamic properties of six isomeric heptanes, J. Phys. Chem., 1961, 65, 495-503. [all data]

Douglas, Furukawa, et al., 1954
Douglas, T.B.; Furukawa, G.T.; McCoskey, R.E.; Ball, A.F., Calorimetric properties of normal heptane from 0 to 520 K, J. Res., 1954, NBS 53, 139-153. [all data]

Pitzer K.S., 1940
Pitzer K.S., The thermodynamics of n-heptane and 2,2,4-trimethylpentane, including heat capacities, heats of fusion and vaporization and entropies, J. Am. Chem. Soc., 1940, 62, 1224-1227. [all data]

Huffman, Parks, et al., 1930
Huffman, H.M.; Parks, G.S.; Thomas, S.B., Thermal data on organic compounds. VIII. The heat capacities, entropies and free energies of the isomeric heptanes, J. Am. Chem. Soc., 1930, 52, 3241-3251. [all data]

Parks, Huffman, et al., 1930
Parks, G.S.; Huffman, H.M.; Thomas, S.B., Thermal data on organic compounds. VI. The heat capacities, entropies and free energies of some saturated, non-benzenoid hydrocarbons, J. Am. Chem. Soc., 1930, 52, 1032-1041. [all data]

Andreoli-Ball, Patterson, et al., 1988
Andreoli-Ball, L.; Patterson, D.; Costas, M.; Caceres-Alonso, M., Heat capacity and corresponding states in alkan-1-ol-n-alkane systems, J. Chem. Soc., Faraday Trans. 1, 1988, 84(11), 3991-4012. [all data]

Saito and Tanaka, 1988
Saito, A.; Tanaka, R., Excess volumes and heat capacities of binary mixtures formed from cyclohexane, hexane and heptane at 298.15 K, J. Chem. Thermodynam., 1988, 20, 859-865. [all data]

Shiohama, Ogawa, et al., 1988
Shiohama, Y.; Ogawa, H.; Murakami, S.; Fujihara, I., Excess molar isobaric heat capacities and isentropic compressibilities of (cis- or trans-decalin + benzene or toluene or iso-octane or n-heptane) at 298.15 K, J. Chem. Thermodynam., 1988, 20, 1183-1189. [all data]

Kalali, Kohler, et al., 1987
Kalali, H.; Kohler, F.; Svejda, P., Excess properties of the mixture bis(2-dichlorethyl)ether (chlorex) + 2,2,4-trimethylpentane (isooctane), Monatsh. Chem., 1987, 118, 1-18. [all data]

Tanaka, 1987
Tanaka, R., Excess heat capacities for mixture of benzene with n-heptane at 293.15, 298.15 and 303.15 K, J. Chem. Eng. Data, 1987, 32, 176-177. [all data]

Van Miltenburg, Van den Berg, et al., 1987
Van Miltenburg, J.C.; Van den Berg, G.J.K.; Van Bommel, M.J., Construction of an adiabatic calorimeter. Measurements of the molar heat capacity of synthetic sapphire and of n-heptane, J. Chem. Thermodynam., 1987, 19, 1129-1137. [all data]

Wilhelm, Inglese, et al., 1987
Wilhelm, E.; Inglese, A.; Roux, A.H.; Grolier, J.-P.E., Excess enthalpy, excess heat capacity and excess volume of 1,2,4-trimethylbenzene +, and 1-methylnaphthalene + an n-alkane, Fluid Phase Equilibria, 1987, 34, 49-67. [all data]

Baluja, Bravo, et al., 1985
Baluja, M.C.; Bravo, R.; Pintos, M.; Paz Andrade, M.I.; Roux-Desgranges, G.; Grolier, J.-P.E., Unusual dependence on concentration of the excess heat capacities of ester solutions in alkanes, Calorim. Anal. Therm., 1985, 16, 138-144. [all data]

Lainez, Rodrigo, et al., 1985
Lainez, A.; Rodrigo, M.; Roux, A.H.; Grolier, J.-P.E.; Wilhelm, E., Relations between structure and thermodynamic properties. Heat capacities of polar substances (nitrobenzene and benzonitrile) in alkane solutions, Calorim. Anal. Therm., 1985, 16, 153-158. [all data]

Tanaka, Nakamichi, et al., 1985
Tanaka, R.; Nakamichi, T.; Murakami, S., Molar excess heat capacities and volumes for mixtures of benzomitrile with cyclohexane between 10 and 45°C, J. Solution Chem., 1985, 14(11), 795-803. [all data]

Grolier, Inglese, et al., 1984
Grolier, J.-P.E.; Inglese, A.; Wilhelm, E., Excess molar heat capacities of (1,4-dioxane + an n-alkane): an unusual composition dependence, J. Chem. Thermodynam., 1984, 16, 67-71. [all data]

Roux, Grolier, et al., 1984
Roux, A.H.; Grolier, J.-P.E.; Inglese, A.; Wilhelm, E., Excess molar enthalpies, excess molar heat capacities and excess molar volumes of (fluorobenzene + an n-alkane), Ber. Bunsenges. Phys. Chem., 1984, 88, 986-992. [all data]

Kimura, Treszczanowicz, et al., 1983
Kimura, F.; Treszczanowicz, A.J.; Halpin, C.J.; Benson, G.C., Excess volumes and ultrasonic speeds for (di-n-propylether + n-heptane), J. Chem. Thermodynam., 1983, 15, 503-510. [all data]

Tan, Zhou, et al., 1983
Tan, Z.; Zhou, L.; Chen, S.; Yin, A.; Sun, Y.; Ye, J.; Wang, X., An adiabatic calorimeter for heat-capacity measurements from 80 to 400 K - heat capacities of a-alumina and n-heptane, Sci. Sin., Ser. B (Engl. Ed.), 1983, 26, 1014-1026. [all data]

Tanaka, 1982
Tanaka, R., Determination of excess heat capacities of (benzene + tetrachloromethane and + cyclohexane) between 293.15 and 303.15 K by use of a Picker flow calorimeter, J. Chem. Thermodynam., 1982, 14, 259-268. [all data]

Zaripov, 1982
Zaripov, Z.I., Experimental study of the isobaric heat capacity of liquid organic compounds with molecular weights of up to 4000 a.e.m., 1982, Teplomassoobmen Teplofiz. [all data]

Grolier, Inglese, et al., 1981
Grolier, J.P.E.; Inglese, A.; Roux, A.H.; Wilhelm, E., Thermodynamics of (1-chloronaphthalene + n-alkane): excess enthalpies, excess volumes and excess heat capacities, Ber. Bunsenges. Phys. Chem., 1981, 85, 768-772. [all data]

Kalinowska, Jedlinska, et al., 1980
Kalinowska, B.; Jedlinska, J.; Woycicki, W.; Stecki, J., Heat capacities of liquids at temperatures between 90 and 300 K and at atmospheric pressure. I. Method and apparatus, and the heat capacities of n-heptane, n-hexane, and n-propanol, J. Chem. Thermodynam., 1980, 12, 891-896. [all data]

Brown and Ziegler, 1979
Brown, G.N., Jr.; Ziegler, W.T., Temperature dependence of excess thermodynamic properties of ethanol + n-heptane and 2-propanol + n-heptane solutions, J. Chem. Eng. Data, 1979, 24, 319-330. [all data]

Czarnota, 1979
Czarnota, I., Calorimetric system for measurement of specific heat capacity of liquids, Cp, at high pressures, Bull. Acad. Pol. Sci., Ser. Sci. Chim., 1979, 10, 763-772. [all data]

Grolier, Hamedi, et al., 1979
Grolier, J-P.E.; Hamedi, M.H.; Wilhelm, E.; Kehiaian, H.V., Excess heat capacities of binary mixtures of carbon tetrachloride with n-alkanes at 298.15 K, Thermochim. Acta, 1979, 31, 79-84. [all data]

Schaake, Offringa, et al., 1979
Schaake, R.C.F.; Offringa, J.C.A.; van der Berg, G.J.K.; van Miltenburg, J.C., Phase transitions in solids, studied by adiabatic calorimetry. I. Design and test of an automatic adiabatic calorimeter, J. Royal Netherlands Chem. Soc., 1979, 98, 408-412. [all data]

Woycicka and Kalinowska, 1978
Woycicka, M.; Kalinowska, B., Excess entahlpy and heat capacities of diluted propionic acid solutions in n-heptane, Bull. Acad. Pol. Sci., Ser. Sci. Chim., 1978, 26, 371-375. [all data]

Meijer, Blok, et al., 1977
Meijer, E.L.; Blok, J.G.; Kroon, J.; Oonk, H.A.J., The carvoxime system. IV. Heat capacities and enthalpies of melting of DL-carvoxime, L-carvoxime and standard n-heptane, Thermochim. Acta, 1977, 20, 325-334. [all data]

Fortier and Benson, 1976
Fortier, J.-L.; Benson, G.C., Excess heat capacities of binary liquid mixtures determined with a Picker flow calorimeter, J. Chem. Thermodynam., 1976, 8, 411-423. [all data]

Grigor'ev, Rastorguev, et al., 1975
Grigor'ev, B.A.; Rastorguev, Yu.L.; Yanin, G.S., Experimental determination of the isobaric specific heat of n-alkanes, Iz. Vyssh. Uchebn. Zaved. Neft Gaz 18, 1975, No.10, 63-66. [all data]

Holzhauer and Ziegler, 1975
Holzhauer, J.K.; Ziegler, W.T., Temperature dependence of excess thermodynamic properties of n-heptane-toluene, methylcyclohexane-toluene, and n-heptane-methylcyclohexane systems, J. Phys. Chem., 1975, 79(6), 590-604. [all data]

Woycicka and Kalinowska, 1975
Woycicka, M.K.; Kalinowska, B., Enthalpies of mixing and excess heat capacities of dilute solutions of n-decanol with n-heptane and n-tridecane, Bull. Acad. Pol. Sci., Ser. Sci. Chim., 1975, 23, 759-764. [all data]

Diaz pena and Renuncio, 1974
Diaz pena, M.D.; Renuncio, J.A.R., Construccion de un calorimetro adiabatico. Capacidad calorifica de mezclas n-hexano + n-hexadecano, An. Quim., 1974, 70, 113-120. [all data]

Kalinowska and Woycicka, 1973
Kalinowska, B.; Woycicka, M., Excess heat capacities of dilute solutions of n-hexanol in n-alkanes, Bull. Aca. Pol. Sci. (Ser. Sci. Chim.), 1973, 21(11), 845-848. [all data]

Van Miltenburg, 1972
Van Miltenburg, J.C., Construction of an adiabatic calorimeter. Thermodynamic properties of standard n-heptane from 155 to 270K and of 2,2-dichloropropane from 135 to 270K, J. Chem. Thermodynam., 1972, 4, 773-782. [all data]

Oetting F.L., 1963
Oetting F.L., The heat capacity and entropy of 2-methyl-2-propanol from 15 to 330 K, J. Phys. Chem., 1963, 67, 2757-2761. [all data]

McCullough and Messerly, 1961
McCullough, J.P.; Messerly, J.F., The chemical thermodynamic properties of hydrocarbons and related substances, Bureau of Mines Bulletin, 1961, 596, pp. [all data]

Swietoslawski and Zielenkiewicz, 1958
Swietoslawski, W.; Zielenkiewicz, A., Mean specific heat of some ternary azeotropes, Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1958, 6, 365-366. [all data]

Helfrey, Heiser, et al., 1955
Helfrey, P.F.; Heiser, D.A.; Sage, B.H., Isobaric heat capacities at bubble point, Two trimethylbenzenes and n-heptane, Ind. Eng. Chem., 1955, 44, 2385-2388. [all data]

Ginnings and Furukawa, 1953
Ginnings, D.C.; Furukawa, G.T., Heat capacity standards for the range 14 to 1200°K, J. Am. Chem. Soc., 1953, 75, 522-527. [all data]

Osborne and Ginnings, 1947
Osborne, N.S.; Ginnings, D.C., Measurements of heat of vaporization and heat capacity of a number of hydrocarbons, J. Res. NBS, 1947, 39, 453-477. [all data]

Bykov, 1939
Bykov, V.T., Heat of mixing of liquids, Zhur. Fiz. Khim., 1939, 13, 1013-1019. [all data]

Phillip, 1939
Phillip, N.M., Adiabatic and isothermal compressibilities of liquids, Proc. Indian Acad. Sci., 1939, A9, 109-120. [all data]

Vold, 1937
Vold, R.D., A calorimetric test of the solubility equation for regular solutions, J. Am. Chem. Soc., 1937, 59, 1515-1521. [all data]

Richards and Wallace, 1932
Richards, W.T.; Wallace, J.H., Jr., The specific heats of five organic liquids from their adiabatic temperature-pressure coefficients, J. Am. Chem. Soc., 1932, 54, 2705-2713. [all data]

Willams and Daniels, 1924
Willams, J.W.; Daniels, F., The specific heats of certain organic liquids at elevated temperatures, J. Am. Chem. Soc., 1924, 46, 903-917. [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
Lewis, K.E.; Golden, D.M.; Smith, G.P., Organometallic bond dissociation energies: Laser pyrolysis of Fe(CO)₅, Cr(CO)₆, Mo(CO)₆, and W(CO)₆, J. Am. Chem. Soc., 1984, 106, 3905. [all data]

Yang, Vaida, et al., 1988
Yang, G.K.; Vaida, V.; Peters, K.S., Polyhedron, 1988, 7, 1619. [all data]

Yang, Peters, et al., 1986
Yang, G.K.; Peters, K.S.; Vaida, V., Chem. Phys. Lett., 1986, 125, 566. [all data]

Johnson, Popov, et al., 1991
Johnson, F.P.A.; Popov, V.K.; George, M.W.; Bagratashvili, V.N.; Poliakoff, M.; Turner, J.J., Mendeleev Commun., 1991, 145.. [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]

Rogers and Siddiqui, 1975
Rogers, D.W.; Siddiqui, N.A., Heats of hydrogenation of large molecules. I. Esters of unsaturated fatty acids, J. Phys. Chem., 1975, 79, 574-577. [all data]

Prosen and Rossini, 1941
Prosen, E.J.R.; Rossini, F.D., Heats of isomerization of the nine heptanes, J. Res. NBS, 1941, 27, 519-528. [all data]

Burkey, 1990
Burkey, T.J., J. Am. Chem. Soc., 1990, 112, 8329. [all data]

Klassen, Selke, et al., 1990
Klassen, J.K.; Selke, M.; Sorensen, A.A.; Yang, G.K., J. Am. Chem. Soc., 1990, 112, 1267. [all data]

Yang and Yang, 1992
Yang, P.-F.; Yang, K.G., J. Am. Chem. Soc., 1992, 114, 6937. [all data]

Rogers, Dagdagan, et al., 1979
Rogers, D.W.; Dagdagan, O.A.; Allinger, N.L., Heats of hydrogenation and formation of linear alkynes and a molecular mechanics interpretation, J. Am. Chem. Soc., 1979, 101, 671-676. [all data]

Notes

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Symbols used in this document:

C_p,gas	Constant pressure heat capacity of gas
C_p,liquid	Constant pressure heat capacity of liquid
S°_liquid	Entropy of liquid at standard conditions
Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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