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Heptane

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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 - H.Y. Afeefy, J.F. Liebman, and S.E. Stein
DRB - D.R. Burgess
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-187.8 ± 0.79kJ/molCcbProsen and Rossini, 1945ALS
Deltafgas-189.3kJ/molN/ADavies and Gilbert, 1941Value computed using «DELTA»fHliquid° value of -225.9±1.3 kj/mol from Davies and Gilbert, 1941 and «DELTA»vapH° value of 36.6 kj/mol from Prosen and Rossini, 1945.; DRB

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
127.65200.Scott D.W., 1974Recommended 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
154.64273.15
165.2 ± 0.3298.15
165.98300.
210.66400.
252.09500.
287.44600.
317.15700.
342.25800.
363.59900.
381.581000.
397.061100.
410.451200.
422.581300.
435.141400.
443.501500.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
191.50 ± 0.19357.10Waddington G., 1947GT
198.78 ± 0.20373.15
210.75 ± 0.21400.40
225.31 ± 0.23434.35
238.49 ± 0.24466.10

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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 - H.Y. Afeefy, J.F. Liebman, and S.E. Stein
DH - E.S. Domalski and E.D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-224.4 ± 0.79kJ/molCcbProsen and Rossini, 1945ALS
Deltafliquid-225.9 ± 1.3kJ/molCcbDavies and Gilbert, 1941ALS
Quantity Value Units Method Reference Comment
Deltacliquid-4817. ± 8.kJ/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
liquid328.57J/mol*KN/AHuffman, Gross, et al., 1961DH
liquid327.98J/mol*KN/ADouglas, Furukawa, et al., 1954DH
liquid328.86J/mol*KN/APitzer K.S., 1940DH
liquid330.1J/mol*KN/AHuffman, Parks, et al., 1930Extrapolation below 90 K, 71.00 J/mol*K. Based on previously published specific heat data, 30PAR/HUF.; DH
liquid326.4J/mol*KN/AParks, Huffman, et al., 1930Extrapolation below 90 K, 71.00 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
224.64298.15Andreoli-Ball, Patterson, et al., 1988DH
224.72298.15Saito and Tanaka, 1988DH
224.73298.15Shiohama, Ogawa, et al., 1988DH
222.88293.15Kalali, Kohler, et al., 1987T = 293.15, 313.15 K.; DH
224.721298.15Tanaka, 1987DH
225.14300.Van Miltenburg, Van den Berg, et al., 1987T = 10 to 350 K.; DH
224.71298.15Wilhelm, Inglese, et al., 1987DH
224.781298.15Baluja, Bravo, et al., 1985DH
224.781298.15Lainez, Rodrigo, et al., 1985DH
224.731298.15Tanaka, Nakamichi, et al., 1985DH
224.71298.15Grolier, Inglese, et al., 1984DH
224.78298.15Roux, Grolier, et al., 1984DH
224.764298.15Kimura, Treszczanowicz, et al., 1983DH
225.33300.Tan, Zhou, et al., 1983T = 220 to 380 K.; DH
224.8298.15Tanaka, 1982DH
224.0298.Zaripov, 1982T = 298, 323, 363 K.; DH
224.69298.15Grolier, Inglese, et al., 1981DH
224.62297.860Kalinowska, Jedlinska, et al., 1980T = 185 to 300 K. Unsmoothed experimental datum.; DH
224.66298.15Brown and Ziegler, 1979T = 183 to 302 K. Results as equation only.; DH
225.6300.Czarnota, 1979DH
224.6298.15Grolier, Hamedi, et al., 1979DH
220.00285.Schaake, Offringa, et al., 1979T = 90 to 285 K.; DH
226.5333.15Woycicka and Kalinowska, 1978DH
255.0298.15Meijer, Blok, et al., 1977T = 160 to 350 K.; DH
224.707298.15Fortier and Benson, 1976DH
223.4298.Grigor'ev, Rastorguev, et al., 1975T = 300 to 463 K.; DH
224.19298.15Holzhauer and Ziegler, 1975T = 182 to 312 K. Cp = 866.18820 - 9.9628490T + 0.054561085T2 - 0.00013079634T3 + 1.1957392x10-7T4 J/mol*K.; DH
226.53303.15Woycicka and Kalinowska, 1975DH
225.3298.15Diaz pena and Renuncio, 1974T = 298 to 323 K.; DH
226.53298.15Kalinowska and Woycicka, 1973DH
209.6250.Van Miltenburg, 1972T = 130 to 263 K.; DH
328.61298.15Oetting F.L., 1963DH
224.93298.15Huffman, Gross, et al., 1961T = 10 to 300 K.; DH
224.93298.15McCullough and Messerly, 1961T = 10 to 370 K. Csat(liq) = 56.582 - 0.14490T + 5.7813x10-4T2 - 4.1667x10-7T3 cal/mol*K.; DH
247.3332.Swietoslawski and Zielenkiewicz, 1958Mean value 22 to 96 C.; DH
233.13299.8Helfrey, Heiser, et al., 1955T = 70 to 220 F.; DH
224.74298.15Douglas, Furukawa, et al., 1954T = 20 to 520 K.; DH
224.74298.15Ginnings and Furukawa, 1953T = 25 to 520 K.; DH
224.85298.15Osborne and Ginnings, 1947T = 278 to 318 K.; DH
224.60296.5Pitzer K.S., 1940T = 15 to 318 K. Value is unsmoothed experimental datum.; DH
211.3298.Bykov, 1939DH
210.9300.8Phillip, 1939DH
223.0298.Vold, 1937Cp given as 0.532 cal/g*K.; DH
224.3298.1Richards and Wallace, 1932T = 293 to 323 K.; DH
222.2299.2Parks, Huffman, et al., 1930T = 90 to 300 K. Value is unsmoothed experimental datum.; DH
217.0303.Willams and Daniels, 1924T = 303 to 350 K. Equation only.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, M. Frenkel director
BS - R.L. Brown and S.E. Stein
AC - W.E. Acree, Jr., J.S. Chickos
ALS - H.Y. Afeefy, J.F. Liebman, and S.E. Stein
DH - E.S. Domalski and E.D. Hearing

Quantity Value Units Method Reference Comment
Tboil371.5 ± 0.3KAVGN/AAverage of 215 out of 227 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus182.6 ± 0.4KAVGN/AAverage of 51 out of 52 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple182.56 ± 0.03KAVGN/AAverage of 26 out of 31 values; Individual data points
Quantity Value Units Method Reference Comment
Tc540. ± 2.KAVGN/AAverage of 27 values; Individual data points
Quantity Value Units Method Reference Comment
Pc27.4 ± 0.3barAVGN/AAverage of 18 out of 19 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.428l/molN/AAmbrose and Tsonopoulos, 1995 
Vc0.425l/molN/AZawisza and Vejrosta, 1982Uncertainty assigned by TRC = 0.001 l/mol; Visual; TRC
Quantity Value Units Method Reference Comment
rhoc2.35 ± 0.07mol/lAVGN/AAverage of 12 values; Individual data points
Quantity Value Units Method Reference Comment
Deltavap36. ± 3.kJ/molAVGN/AAverage of 7 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
31.77371.6N/AMajer and Svoboda, 1985 
34.7345.N/ASegura, Wisniak, et al., 2002Based on data from 330. - 371. K.; AC
35.2343.N/AOrtega, González, et al., 2001Based on data from 328. - 393. K.; AC
36.1312.AStephenson and Malanowski, 1987Based on data from 297. - 375. K. See also Forziati, Norris, et al., 1949.; AC
36.1313.N/AMichou-Saucet, Jose, et al., 1984Based on data from 298. - 338. K.; AC
36.1313.N/ASipowska and Wieczorek, 1984Based on data from 298. - 363. K.; AC
35.6 ± 0.1313.CMajer, Svoboda, et al., 1979AC
34.4 ± 0.1333.CMajer, Svoboda, et al., 1979AC
33.1 ± 0.1353.CMajer, Svoboda, et al., 1979AC
36.4303.N/AVan Ness, Soczek, et al., 1967Based on data from 288. - 348. K.; AC
34.5 ± 0.1331.CWaddington, Todd, et al., 1947AC
33.2 ± 0.1350.CWaddington, Todd, et al., 1947AC
35.4328.N/AThomson, 1946Based on data from 313. - 398. K.; AC
36.0314.MMWillingham, Taylor, et al., 1945Based on data from 299. - 372. K.; AC
32.0371.CPitzer K.S., 1940AC
35.5325.EBSmith, 1940Based on data from 310. - 397. K.; AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kJ/mol) beta Tc (K) Reference Comment
298. - 363.53.660.2831540.2Majer and Svoboda, 1985 

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
185.29 - 295.604.818031635.409-27.338Carruth and Kobayashi, 1973Coefficents calculated by NIST from author's data.
299.07 - 372.434.028321268.636-56.199Williamham, Taylor, et al., 1945 

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
57.9183.BBondi, 1963AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
13.990182.57Van Miltenburg, Van den Berg, et al., 1987DH
14.053182.59Schaake, Offringa, et al., 1979DH
14.037182.55Huffman, Gross, et al., 1961DH
14.037182.55McCullough and Messerly, 1961DH
14.022182.56Douglas, Furukawa, et al., 1954DH
14.022182.56Ginnings and Furukawa, 1953DH
14.0407182.52Pitzer K.S., 1940DH
14.059182.7Meijer, Blok, et al., 1977DH
14.061182.56Van Miltenburg, 1972DH
14.0306182.56Oetting F.L., 1963DH
14.04182.6Domalski and Hearing, 1996AC
14.163182.2Huffman, Parks, et al., 1930DH
14.163182.2Parks, Huffman, et al., 1930DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
76.96182.59Schaake, Offringa, et al., 1979DH
76.89182.55Huffman, Gross, et al., 1961DH
76.89182.55McCullough and Messerly, 1961DH
78.81182.56Douglas, Furukawa, et al., 1954DH
76.81182.56Ginnings and Furukawa, 1953DH
76.93182.52Pitzer K.S., 1940DH
77.0182.7Meijer, Blok, et al., 1977DH
77.02182.56Van Miltenburg, 1972DH
76.81182.56Oetting F.L., 1963DH
77.73182.2Huffman, Parks, et al., 1930DH
77.73182.2Parks, Huffman, et al., 1930DH

Temperature of phase transition

Ttrs (K) Initial Phase Final Phase Reference Comment
182.586crystaline, IliquidHolzhauer and Ziegler, 1975DH

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Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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 - J.A. Martinho Simões
ALS - H.Y. Afeefy, J.F. Liebman, and S.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

Manganese, tricarbonyl(η5-2,4-cyclopentadien-1-yl)- (solution) + Heptane (solution) = C14H21MnO2 (solution) + Carbon monoxide (solution)

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

Quantity Value Units Method Reference Comment
Deltar196. ± 7.kJ/molAVGN/AAverage of 18 values; Individual data points

Chromium hexacarbonyl (solution) + Heptane (solution) = C12H16CrO5 (solution) + Carbon monoxide (solution)

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

Quantity Value Units Method Reference Comment
Deltar113. ± 3.kJ/molAVGN/AAverage 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
Deltar40.2kJ/molN/AMorse, Parker, et al., 1989solvent: Heptane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of Cr-CO bond in Cr(CO)6, 154.0 kJ/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), 113.8 kJ/mol Morse, Parker, et al., 1989; MS
Deltar41.kJ/molN/AYang, Vaida, et al., 1988solvent: Heptane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of Cr-CO bond in Cr(CO)6, 154.0 kJ/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), 112.9 kJ/mol Yang, Peters, et al., 1986; MS

Hydrogen + 1-Heptene = Heptane

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-125. ± 2.kJ/molAVGN/AAverage 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
Deltar36.4kJ/molN/AMorse, Parker, et al., 1989solvent: Heptane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of Mo-CO bond in Mo(CO)6, 169.5 kJ/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), 133.1 kJ/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
Deltar56.1kJ/molN/AMorse, Parker, et al., 1989solvent: Heptane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of W-CO bond in W(CO)6, 192.5 kJ/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), 136.4 kJ/mol Morse, Parker, et al., 1989; MS

Molybdenum hexacarbonyl (solution) + Heptane (solution) = C12H16MoO5 (solution) + Carbon monoxide (solution)

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

Quantity Value Units Method Reference Comment
Deltar135. ± 12.kJ/molPACJohnson, Popov, et al., 1991solvent: Heptane; The reaction enthalpy relies on 0.67 for the quantum yield of CO dissociation.; MS
Deltar133.1 ± 5.4kJ/molPACMorse, Parker, et al., 1989solvent: Heptane; The reaction enthalpy relies on 0.67 for the quantum yield of CO dissociation; MS

Hydrogen + (Z)-3-Heptene = Heptane

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-118.5 ± 0.3kJ/molChydRogers and Dejroongruang, 1988liquid phase; solvent: Hydrocarbone; ALS
Deltar-117.2 ± 2.8kJ/molChydRogers and Siddiqui, 1975liquid phase; solvent: n-Hexane; ALS

Heptane = Pentane, 3-ethyl-

By formula: C7H16 = C7H16

Quantity Value Units Method Reference Comment
Deltar-0.59 ± 0.96kJ/molCcbProsen and Rossini, 1941liquid phase; Heat of Isomerization; ALS
Deltar-2.2 ± 1.1kJ/molCcbProsen and Rossini, 1941gas phase; Heat of Isomerization; ALS

Heptane = Pentane, 2,2-dimethyl-

By formula: C7H16 = C7H16

Quantity Value Units Method Reference Comment
Deltar-14.3 ± 1.2kJ/molCcbProsen and Rossini, 1941liquid phase; Heat of Isomerization; ALS
Deltar-18.6 ± 1.3kJ/molCcbProsen and Rossini, 1941gas phase; Heat of Isomerization; ALS

Heptane = Pentane, 2,3-dimethyl-

By formula: C7H16 = C7H16

Quantity Value Units Method Reference Comment
Deltar-9.1 ± 1.1kJ/molCcbProsen and Rossini, 1941liquid phase; Heat of Isomerization; ALS
Deltar-11.7 ± 1.3kJ/molCcbProsen and Rossini, 1941gas phase; Heat of Isomerization; ALS

Heptane = Pentane, 2,4-dimethyl-

By formula: C7H16 = C7H16

Quantity Value Units Method Reference Comment
Deltar-10.6 ± 0.67kJ/molCcbProsen and Rossini, 1941liquid phase; Heat of Isomerization; ALS
Deltar-14.2 ± 0.92kJ/molCcbProsen and Rossini, 1941gas phase; Heat of Isomerization; ALS

Heptane = Pentane, 3,3-dimethyl-

By formula: C7H16 = C7H16

Quantity Value Units Method Reference Comment
Deltar-10.2 ± 0.63kJ/molCcbProsen and Rossini, 1941liquid phase; Heat of Isomerization; ALS
Deltar-13.6 ± 0.88kJ/molCcbProsen and Rossini, 1941gas phase; Heat of Isomerization; ALS

Heptane = Butane, 2,2,3-trimethyl-

By formula: C7H16 = C7H16

Quantity Value Units Method Reference Comment
Deltar-12.6 ± 0.92kJ/molCcbProsen and Rossini, 1941liquid phase; Heat of Isomerization; ALS
Deltar-17.4 ± 1.1kJ/molCcbProsen and Rossini, 1941gas phase; Heat of Isomerization; ALS

Tungsten hexacarbonyl (solution) + Heptane (solution) = C12H16O5W (solution) + Carbon monoxide (solution)

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

Quantity Value Units Method Reference Comment
Deltar136.4 ± 1.7kJ/molPACMorse, Parker, et al., 1989solvent: Heptane; The reaction enthalpy relies on 0.72 for the quantum yield of CO dissociation; MS

Benzenechromiumtricarbonyl (solution) + Heptane (solution) = C15H22CrO2 (solution) + Carbon monoxide (solution)

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

Quantity Value Units Method Reference Comment
Deltar137.2 ± 1.3kJ/molPACBurkey, 1990solvent: Heptane; The reaction enthalpy relies on 0.72 for the quantum yield of CO dissociation; MS

Vanadium, tetracarbonyl(η5-2,4-cyclopentadien-1-yl)- (solution) + Heptane (solution) = C15H21O3V (solution) + Carbon monoxide (solution)

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

Quantity Value Units Method Reference Comment
Deltar107. ± 13.kJ/molPACJohnson, Popov, et al., 1991solvent: Heptane; The reaction enthalpy relies on 0.80 for the quantum yield of CO dissociation.; MS

C12H16CrO5 (solution) + 1,3-Diazine (solution) = Heptane (solution) + C10H5CrNO5 (solution)

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

Quantity Value Units Method Reference Comment
Deltar-84.1 ± 1.7kJ/molPACYang, Vaida, et al., 1988solvent: Heptane; MS

Hydrogen + 2-Heptene, (E)- = Heptane

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-114.1 ± 0.5kJ/molChydRogers and Dejroongruang, 1988liquid phase; solvent: Hydrocarbone; ALS

Hydrogen + 3-Heptene, (E)- = Heptane

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-114.7 ± 0.3kJ/molChydRogers and Dejroongruang, 1988liquid phase; solvent: Hydrocarbone; ALS

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

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

Quantity Value Units Method Reference Comment
Deltar-67.4 ± 5.9kJ/molPACKlassen, Selke, et al., 1990solvent: Heptane; MS

Hydrogen + (Z)-2-Heptene = Heptane

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-115.6 ± 0.4kJ/molChydRogers and Dejroongruang, 1988liquid phase; solvent: Hydrocarbone; ALS

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

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

Quantity Value Units Method Reference Comment
Deltar-51.9 ± 5.0kJ/molPACYang, Peters, et al., 1986solvent: Heptane; MS

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

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

Quantity Value Units Method Reference Comment
Deltar-56.5 ± 5.0kJ/molPACYang, Peters, et al., 1986solvent: Heptane; MS

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

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

Quantity Value Units Method Reference Comment
Deltar-51.0 ± 5.0kJ/molPACYang, Peters, et al., 1986solvent: Heptane; MS

C12H16CrO5 (solution) + 1-Hexene (solution) = C11H12CrO5 (solution) + Heptane (solution)

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

Quantity Value Units Method Reference Comment
Deltar-51.0 ± 5.0kJ/molPACYang, Peters, et al., 1986solvent: Heptane; MS

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

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

Quantity Value Units Method Reference Comment
Deltar-72.8 ± 4.2kJ/molPACKlassen, Selke, et al., 1990solvent: Heptane; MS

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

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

Quantity Value Units Method Reference Comment
Deltar-37.7 ± 4.2kJ/molPACYang and Yang, 1992solvent: Heptane; MS

C14H21MnO2 (solution) + Methane, dibromo- (solution) = C8H7Br2MnO2 (solution) + Heptane (solution)

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

Quantity Value Units Method Reference Comment
Deltar-51.0 ± 5.0kJ/molPACYang and Yang, 1992solvent: Heptane; MS

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

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

Quantity Value Units Method Reference Comment
Deltar-57.7 ± 5.0kJ/molPACYang, Peters, et al., 1986solvent: Heptane; MS

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

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

Quantity Value Units Method Reference Comment
Deltar-76.1 ± 5.0kJ/molPACYang, Peters, et al., 1986solvent: Heptane; MS

2-Heptyne + 2Hydrogen = Heptane

By formula: C7H12 + 2H2 = C7H16

Quantity Value Units Method Reference Comment
Deltar-272.4 ± 1.3kJ/molChydRogers, Dagdagan, et al., 1979liquid phase; solvent: Hexane; ALS

2Hydrogen + 3-Heptyne = Heptane

By formula: 2H2 + C7H12 = C7H16

Quantity Value Units Method Reference Comment
Deltar-270.4 ± 1.5kJ/molChydRogers, Dagdagan, et al., 1979liquid phase; solvent: Hexane; ALS

2Hydrogen + 1-Heptyne = Heptane

By formula: 2H2 + C7H12 = C7H16

Quantity Value Units Method Reference Comment
Deltar-291.4 ± 1.6kJ/molChydRogers, Dagdagan, et al., 1979liquid phase; solvent: Hexane; ALS

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spec Data Center, S.E. Stein, director


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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 Spec Data Center, S.E. Stein, director

Spectrum

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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.

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Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References