Heptane
- Formula: C7H16
- Molecular weight: 100.2019
- 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 thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law 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
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 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law 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 | -53.63 ± 0.19 | kcal/mol | Ccb | Prosen and Rossini, 1945 | ALS |
ΔfH°liquid | -53.99 ± 0.30 | kcal/mol | Ccb | Davies and Gilbert, 1941 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°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
Cp,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, Henry's Law 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:
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 |
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 |
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 |
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 |
Henry's Law data
Go To: Top, Gas phase thermochemistry data, 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 by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.0012 | 3700. | L | N/A | |
0.0012 | 3700. | X | N/A | |
0.00037 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.00044 | L | N/A | ||
0.00049 | V | N/A |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, 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,
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Notes
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- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K 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
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