n-Hexane

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas-167.1kJ/molN/AGood and Smith, 1969Value computed using ΔfHliquid° value of -198.7±0.7 kj/mol from Good and Smith, 1969 and ΔvapH° value of 31.6 kj/mol from Prosen and Rossini, 1945.; DRB
Δfgas-167.2 ± 0.79kJ/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
gas388.82 ± 0.84J/mol*KN/AScott D.W., 1974This reference does not contain the original experimental data. Experimental entropy value is based on the results [ Messerly J.F., 1967] for S(liquid).; GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
110.58200.Scott D.W., 1974, 2Recommended values were obtained from the consistent correlation scheme for alkanes [ Scott D.W., 1974, Scott D.W., 1974, 2]. This approach gives a better agreement with experimental data than the statistical thermodynamics calculation [ Pitzer K.S., 1944, Pitzer K.S., 1946] (see also [ Waddington G., 1949]).; GT
133.55273.15
142.6 ± 0.2298.15
143.26300.
181.54400.
217.28500.
248.11600.
274.05700.
296.23800.
315.06900.
331.371000.
345.181100.
357.311200.
368.191300.
376.561400.
389.111500.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
156.27 ± 0.31333.85Waddington G., 1947GT
168.28 ± 0.34365.15
181.17 ± 0.36398.85
194.10 ± 0.39433.70
206.94 ± 0.41468.90

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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 - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid-198.7 ± 0.67kJ/molCcbGood and Smith, 1969ALS
Δfliquid-198.8 ± 0.79kJ/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
Δcliquid-4163. ± 20.kJ/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
liquid296.06J/mol*KN/ADouslin and Huffman, 1946DH
liquid289.5J/mol*KN/AStull, 1937Extrapolation below 91 K, 54.68 J/mol*K.; DH
liquid295.4J/mol*KN/AHuffman, Parks, et al., 1931Extrapolation below 90 K, 64.02 J/mol*K.; DH
liquid297.5J/mol*KN/AParks, Huffman, et al., 1930Extrapolation below 90 K, 65.44 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
265.2298.15Pruzan, 1991DH
195.52298.15Ohnishi, Fujihara, et al., 1989DH
197.66298.15Andreoli-Ball, Patterson, et al., 1988DH
197.66298.15Perez-Casas, Aicart, et al., 1988DH
195.64298.15Saito and Tanaka, 1988DH
195.84298.15Benson and D'Arcy, 1986DH
203.0308.35Naziev, Bashirov, et al., 1986T = 308.35, 333.15. p = 0.1 MPa. Unsmoothed experimental datum given as 2.356 kJ/kg*K.; DH
197.66298.15Tardajos, Aicart, et al., 1986DH
194.96298.15Costas and Patterson, 1985T = 283.15, 298.15, 313.15 K.; DH
195.80298.15Benson, D'Arcy, et al., 1984DH
195.33298.15Bravo, Pintos, et al., 1984DH
196.1297.32Grigor'ev and Andolenko, 1984T = 293 to 324 K. Unsmoothed experimental datum given as 2.276 kJ/kg*K.; DH
195.80298.15Aicart, Kumaran, et al., 1983DH
195.80298.15Benson, D'Arcy, et al., 1983DH
195.33298.15Wilhelm, Inglese, et al., 1982DH
195.1298.Zaripov, 1982T = 298, 323 K.; DH
195.76298.15Grolier, Inglese, et al., 1981DH
195.64297.316Kalinowska, Jedlinska, et al., 1980T = 185 to 300 K. Unsmoothed experimental datum.; DH
184.2300.Czarnota, 1979DH
196.2298.Grigor'ev, Rastorguev, et al., 1975T = 300 to 463 K.; DH
198.5298.15Diaz pena and Renuncio, 1974T = 298 to 325 K.; DH
196.10299.8Connolly, Sage, et al., 1951T = 80 to 200°F.; DH
194.97298.15Douslin and Huffman, 1946T = 13 to 300 K.; DH
186.2300.7Phillip, 1939DH
189.1298.1Stull, 1937T = 90 to 320 K. Hump about 262 K with abnormal curve to 320 K.; DH
193.3293.5Huffman, Parks, et al., 1931T = 140 to 294 K. Value is unsmoothed experimental datum.; DH
191.6295.1Parks, Huffman, et al., 1930T = 90 to 295 K. Value is unsmoothed experimental datum.; DH
194.1298.von Reis, 1881T = 290 to 363 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics 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, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
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
Tboil341.9 ± 0.3KAVGN/AAverage of 85 out of 100 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus178. ± 1.KAVGN/AAverage of 32 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple178.0 ± 0.5KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Tc507.6 ± 0.5KAVGN/AAverage of 39 out of 44 values; Individual data points
Quantity Value Units Method Reference Comment
Pc30.2 ± 0.4barAVGN/AAverage of 24 out of 25 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.368l/molN/AAmbrose and Tsonopoulos, 1995 
Vc0.371l/molN/AZawisza, 1985Uncertainty assigned by TRC = 0.007 l/mol; TRC
Quantity Value Units Method Reference Comment
ρc2.71 ± 0.02mol/lAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Δvap31. ± 1.kJ/molAVGN/AAverage of 11 values; Individual data points

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
28.85341.9N/AMajer and Svoboda, 1985 
34.9253.AStephenson and Malanowski, 1987Based on data from 238. to 298. K.; AC
35.7244.AStephenson and Malanowski, 1987Based on data from 189. to 259. K.; AC
31.5313.AStephenson and Malanowski, 1987Based on data from 298. to 343. K.; AC
30.1356.AStephenson and Malanowski, 1987Based on data from 341. to 377. K.; AC
29.3389.AStephenson and Malanowski, 1987Based on data from 374. to 451. K.; AC
29.4460.AStephenson and Malanowski, 1987Based on data from 445. to 508. K.; AC
32.0301.A,MMStephenson and Malanowski, 1987Based on data from 286. to 343. K. See also Willingham, Taylor, et al., 1945.; AC
26.6373.CWormald and Yerlett, 1985AC
22.5423.CWormald and Yerlett, 1985AC
15.7473.CWormald and Yerlett, 1985AC
8.9498.CWormald and Yerlett, 1985AC
30.9313.N/AMichou-Saucet, Jose, et al., 1984Based on data from 298. to 338. K.; AC
30.7 ± 0.1313.CMajer, Svoboda, et al., 1979AC
29.5 ± 0.1333.CMajer, Svoboda, et al., 1979AC
28.2 ± 0.1353.CMajer, Svoboda, et al., 1979AC
31.6310.N/ALetcher and Marsicano, 1974Based on data from 300. to 321. K. See also Boublik, Fried, et al., 1984.; AC
32.5250.N/ACarruth and Kobayashi, 1973Based on data from 178. to 265. K.; AC
30.9 ± 0.1309.CWaddington and Douslin, 1947AC
29.8 ± 0.1328.CWaddington and Douslin, 1947AC
30.5 ± 0.2313.CLemons and Felsing, 1943AC
29.0 ± 0.2333.CLemons and Felsing, 1943AC
28.2 ± 0.2353.CLemons and Felsing, 1943AC

Enthalpy of vaporization

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

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Temperature (K) 298. to 444.
A (kJ/mol) 43.85
α -0.039
β 0.397
Tc (K) 507.4
ReferenceMajer 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
177.70 to 264.933.456041044.038-53.893Carruth and Kobayashi, 1973Coefficents calculated by NIST from author's data.
286.18 to 342.694.002661171.53-48.784Williamham, Taylor, et al., 1945 

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
50.8178.BBondi, 1963AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
13.079177.84Douslin and Huffman, 1946DH
13.08177.8Domalski and Hearing, 1996AC
12.343177.90Stull, 1937DH
13.033177.9Huffman, Parks, et al., 1931DH
12.581178.6Parks, Huffman, et al., 1930DH

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
73.54177.84Douslin and Huffman, 1946DH
69.38177.90Stull, 1937DH
73.3177.9Huffman, Parks, et al., 1931DH
70.44178.6Parks, Huffman, et al., 1930DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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 - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
MS - José A. Martinho Simões

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

Hydrogen + 1-Hexene = n-Hexane

By formula: H2 + C6H12 = C6H14

Quantity Value Units Method Reference Comment
Δr-125. ± 3.kJ/molAVGN/AAverage of 8 values; Individual data points

2Hydrogen + 1,5-Hexadiene = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Δr-252. ± 2.kJ/molChydFang and Rogers, 1992liquid phase; solvent: Cyclohexane; ALS
Δr-253.9 ± 2.7kJ/molChydMolnar, Rachford, et al., 1984liquid phase; solvent: Dioxane; ALS
Δr-251.8 ± 1.5kJ/molChydTurner, Mallon, et al., 1973liquid phase; solvent: Glacial acetic acid; ALS
Δr-251.2 ± 0.42kJ/molChydKistiakowsky, Ruhoff, et al., 1936gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -253.3 ± 0.63 kJ/mol; At 355 °K; ALS

Hydrogen + 2-Hexene, (E)- = n-Hexane

By formula: H2 + C6H12 = C6H14

Quantity Value Units Method Reference Comment
Δr-116.1 ± 0.45kJ/molChydRogers, Crooks, et al., 1987liquid phase; ALS
Δr-481.2 ± 3.5kJ/molChydRogers and Crooks, 1983liquid phase; solvent: Hexane; ALS
Δr-111.3 ± 1.1kJ/molChydRogers, Papadimetriou, et al., 1975liquid phase; solvent: Hexane; ALS

Hydrogen + 3-Hexene, (Z)- = n-Hexane

By formula: H2 + C6H12 = C6H14

Quantity Value Units Method Reference Comment
Δr-121.6 ± 0.32kJ/molChydRogers, Crooks, et al., 1987liquid phase; ALS
Δr-119.3 ± 1.2kJ/molChydRogers, Papadimetriou, et al., 1975liquid phase; solvent: Hexane; ALS
Δr-119.5 ± 1.2kJ/molChydRogers and Siddiqui, 1975liquid phase; solvent: n-Hexane; ALS

3-Hexene, (E)- + Hydrogen = n-Hexane

By formula: C6H12 + H2 = C6H14

Quantity Value Units Method Reference Comment
Δr-117.9 ± 0.73kJ/molChydRogers, Crooks, et al., 1987liquid phase; ALS
Δr-117.9 ± 0.82kJ/molChydRogers and Crooks, 1983liquid phase; solvent: Hexane; ALS
Δr-109.8 ± 1.7kJ/molChydRogers, Papadimetriou, et al., 1975liquid phase; solvent: Hexane; ALS

Hydrogen + 2-Hexene, (Z)- = n-Hexane

By formula: H2 + C6H12 = C6H14

Quantity Value Units Method Reference Comment
Δr-119.5 ± 0.69kJ/molChydRogers, Crooks, et al., 1987liquid phase; ALS
Δr-119.0 ± 0.78kJ/molChydRogers and Crooks, 1983liquid phase; solvent: Hexane; ALS
Δr-113.2 ± 0.92kJ/molChydRogers, Papadimetriou, et al., 1975liquid phase; solvent: Hexane; ALS

3Hydrogen + 1,3,5-Hexatriene, (Z)- = n-Hexane

By formula: 3H2 + C6H8 = C6H14

Quantity Value Units Method Reference Comment
Δr-339. ± 3.kJ/molChydFang and Rogers, 1992liquid phase; solvent: Cyclohexane; ALS
Δr-336.8 ± 1.4kJ/molChydTurner, Mallon, et al., 1973liquid phase; solvent: Glacial acetic acid; ALS

3Hydrogen + 1,3,5-Hexatriene, (E)- = n-Hexane

By formula: 3H2 + C6H8 = C6H14

Quantity Value Units Method Reference Comment
Δr-335. ± 3.kJ/molChydFang and Rogers, 1992liquid phase; solvent: Cyclohexane; ALS
Δr-332.3 ± 0.92kJ/molChydTurner, Mallon, et al., 1973liquid phase; solvent: Glacial acetic acid; ALS

4Hydrogen + 1,5-Hexadiyne = n-Hexane

By formula: 4H2 + C6H6 = C6H14

Quantity Value Units Method Reference Comment
Δr-582.8 ± 4.2kJ/molChydSkinner and Snelson, 1959liquid phase; solvent: Acetic acid; Reanalyzed by Cox and Pilcher, 1970, Original value = -583.2 ± 4.2 kJ/mol; ALS

2Hydrogen + cis-1,3-hexadiene = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Δr-226. ± 1.kJ/molChydFang and Rogers, 1992liquid phase; solvent: Cyclohexane; ALS

2Hydrogen + (E)-1,3-Hexadiene = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Δr-221. ± 1.kJ/molChydFang and Rogers, 1992liquid phase; solvent: Cyclohexane; ALS

2Hydrogen + (Z),(Z)-2,4-Hexadiene = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Δr-219. ± 2.kJ/molChydFang and Rogers, 1992liquid phase; solvent: Cyclohexane; ALS

2Hydrogen + 1,4-Hexadiene, (Z)- = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Δr-244. ± 2.kJ/molChydFang and Rogers, 1992liquid phase; solvent: Cyclohexane; ALS

2Hydrogen + trans-1,4-Hexadiene = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Δr-241. ± 2.kJ/molChydFang and Rogers, 1992liquid phase; solvent: Cyclohexane; ALS

2Hydrogen + 2,4-Hexadiene, (E,Z)- = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Δr-215. ± 2.kJ/molChydFang and Rogers, 1992liquid phase; solvent: Cyclohexane; ALS

2Hydrogen + 2,4-Hexadiene, (E,E)- = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Δr-211. ± 2.kJ/molChydFang and Rogers, 1992liquid phase; solvent: Cyclohexane; ALS

2Hydrogen + trans-1-propenyl-cyclopropane = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Δr-264. ± 0.8kJ/molChydRoth, Kirmse, et al., 1982liquid phase; solvent: Isooctane; ALS

4Hydrogen + (Z)-3,5-Hexadien-1-yne = n-Hexane

By formula: 4H2 + C6H6 = C6H14

Quantity Value Units Method Reference Comment
Δr-522. ± 2.kJ/molChydRoth, Hopf, et al., 1994liquid phase; solvent: Isooctane; ALS

C5O5W (g) + n-Hexane (g) = C11H14O5W (g)

By formula: C5O5W (g) + C6H14 (g) = C11H14O5W (g)

Quantity Value Units Method Reference Comment
Δr-45. ± 13.kJ/molEqGBrown, Ishikawa, et al., 1990Temperature range: ca. 300-350 K; MS

2Hydrogen + 1-Hexyne = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Δr-289.4 ± 0.46kJ/molChydRogers, Dagdagan, et al., 1979liquid phase; solvent: Hexane; ALS

2Hydrogen + 3-Hexyne = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Δr-272.4 ± 1.2kJ/molChydRogers, Dagdagan, et al., 1979liquid phase; solvent: Hexane; ALS

2Hydrogen + 2-Hexyne = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Δr-275. ± 2.kJ/molChydRogers, Dagdagan, et al., 1979liquid phase; solvent: Hexane; ALS

n-Hexane = Pentane, 2-methyl-

By formula: C6H14 = C6H14

Quantity Value Units Method Reference Comment
Δr-5.44 ± 0.88kJ/molCisoProsen and Rossini, 1941liquid phase; Calculated from ΔHc; ALS

n-Hexane = Pentane, 3-methyl-

By formula: C6H14 = C6H14

Quantity Value Units Method Reference Comment
Δr-3.2 ± 0.79kJ/molCisoProsen and Rossini, 1941liquid phase; Calculated from ΔHc; ALS

n-Hexane = Butane, 2,3-dimethyl-

By formula: C6H14 = C6H14

Quantity Value Units Method Reference Comment
Δr-8.20 ± 0.84kJ/molCisoProsen and Rossini, 1941liquid phase; Calculated from ΔHc; ALS

n-Hexane = Butane, 2,2-dimethyl-

By formula: C6H14 = C6H14

Quantity Value Units Method Reference Comment
Δr-14.6 ± 0.75kJ/molCisoProsen and Rossini, 1941liquid phase; Calculated from ΔHc; ALS

5Hydrogen + (E)-Hexa-1,5-diyne-3-ene = n-Hexane

By formula: 5H2 + C6H4 = C6H14

Quantity Value Units Method Reference Comment
Δr-705. ± 2.kJ/molChydRoth, Adamczak, et al., 1991liquid phase; ALS

5Hydrogen + (Z)-Hexa-1,5-diyne-3-ene = n-Hexane

By formula: 5H2 + C6H4 = C6H14

Quantity Value Units Method Reference Comment
Δr-709. ± 2.kJ/molChydRoth, Adamczak, et al., 1991liquid phase; ALS

3Hydrogen + C6H8 = n-Hexane

By formula: 3H2 + C6H8 = C6H14

Quantity Value Units Method Reference Comment
Δr-432. ± 1.kJ/molChydRoth, Adamczak, et al., 1991liquid phase; ALS

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, 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 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)10.13 ± 0.10eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
10.29ESTLuo and Pacey, 1992LL
9.97EQSieck and Mautner(Meot-Ner), 1982LBLHLM
10.13 ± 0.10EVALLias, 1982LBLHLM
10.03 ± 0.15EQMautner(Meot-Ner), Sieck, et al., 1981LLK
10.16EQLias, Ausloos, et al., 1976LLK
10.22PEIkuta, Yoshihara, et al., 1973LLK
10.27PEDewar and Worley, 1969RDSH
10.18PIWatanabe, Nakayama, et al., 1962RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H6+11.00 ± 0.035C3H8PISteiner, Giese, et al., 1961RDSH
C3H7+11.42C3H7EIPotzinger and Bunau, 1969RDSH
C3H7+11.33 ± 0.055C3H7PISteiner, Giese, et al., 1961RDSH
C4H8+11.00 ± 0.015C2H6PISteiner, Giese, et al., 1961RDSH
C4H9+11.05C2H5EIPotzinger and Bunau, 1969RDSH
C4H9+11.03 ± 0.07C2H5PISteiner, Giese, et al., 1961RDSH
C5H10+11.005 ± 0.055CH4PISteiner, Giese, et al., 1961RDSH
C5H11+11.045 ± 0.085CH3PISteiner, Giese, et al., 1961RDSH

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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 Spectrometry Data Center, William E. Wallace, director

Spectrum

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NIST MS number 19379

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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.

Good and Smith, 1969
Good, W.D.; Smith, N.K., Enthalpies of combustion of toluene, benzene, cyclohexane, cyclohexene, methylcyclopentane, 1-methylcyclopentene, and n-hexane, J. Chem. Eng. Data, 1969, 14, 102-106. [all data]

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]

Scott D.W., 1974
Scott D.W., Correlation of the chemical thermodynamic properties of alkane hydrocarbons, J. Chem. Phys., 1974, 60, 3144-3165. [all data]

Messerly J.F., 1967
Messerly J.F., Low-temperature thermal data for n-pentane, n-heptadecane, and n-octadecane. Revised thermodynamic functions for the n-alkanes, C5-C18, J. Chem. Eng. Data, 1967, 12, 338-346. [all data]

Scott D.W., 1974, 2
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]

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
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Notes

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