Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Pentane

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-35.08 ± 0.14kcal/molCcbGood, 1970ALS
Deltafgas-35.16 ± 0.24kcal/molCmPilcher and Chadwick, 1967ALS
Deltafgas-35.00 ± 0.16kcal/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
Deltacgas-844.99 ± 0.23kcal/molCmPilcher and Chadwick, 1967Corresponding «DELTA»fgas = -35.16 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacgas-845.27 ± 0.21kcal/molCcbRossini, 1934Corresponding «DELTA»fgas = -34.88 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
gas83.13 ± 0.20cal/mol*KN/AMesserly G.H., 1940Scott [ Scott D.W., 1974] has calculated the value of S(298.15 K)=349.49(0.71) J/mol*K on the basis of data [ Messerly G.H., 1940].; GT

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
28.697 ± 0.057298.15Kharin V.E., 1985Experimental data [ Sage B.H., 1937] are less accurate than selected ones. Please also see Hossenlopp I.A., 1981.; GT
30.554 ± 0.062323.15
32.481 ± 0.065348.15
34.405 ± 0.069373.15
36.310 ± 0.072398.15
38.162 ± 0.076423.15
40.002 ± 0.079448.15
40.179450.
41.766 ± 0.084473.15
43.494 ± 0.086498.15
43.592500.
45.191 ± 0.091523.15
46.836550.
50.007600.
53.043650.
55.664700.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
22.36200.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].; GT
26.900273.15
28.69 ± 0.02298.15
28.829300.
36.460400.
43.640500.
49.900600.
55.301700.
59.900800.
63.800900.
67.2991000.
70.2011100.
72.8011200.
75.0001300.
77.0001400.
79.0011500.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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
Deltafliquid-41.47 ± 0.14kcal/molCcbGood, 1970ALS
Deltafliquid-41.36 ± 0.16kcal/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
Deltacliquid-838.68 ± 0.11kcal/molCcbGood, 1970Corresponding «DELTA»fliquid = -41.47 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-838.80 ± 0.14kcal/molCcbProsen and Rossini, 1945Corresponding «DELTA»fliquid = -41.35 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-838.71 ± 0.18kcal/molCcbProsen and Rossini, 1944Corresponding «DELTA»fliquid = -41.44 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid62.971cal/mol*KN/AMesserly, Guthrie, et al., 1967DH
liquid62.780cal/mol*KN/AMesserly and Kennedy, 1940DH
liquid62.00cal/mol*KN/AParks and Huffman, 1930Extrapolation below 90 K, 56.61 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
40.30298.Grigor'ev, Rastorguev, et al., 1975T = 300 to 463 K.; DH
39.959298.15Messerly, Guthrie, et al., 1967T = 12 to 300 K.; DH
40.151290.Messerly and Kennedy, 1940T = 12 to 290 K.; DH
39.01290.0Parks and Huffman, 1930T = 93 to 290 K. Value is unsmoothed experimental datum.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
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
Tboil309.2 ± 0.2KAVGN/AAverage of 82 out of 95 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus143.4 ± 0.7KAVGN/AAverage of 30 out of 32 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple143.46 ± 0.05KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Tc469.8 ± 0.5KAVGN/AAverage of 27 out of 31 values; Individual data points
Quantity Value Units Method Reference Comment
Pc33.1 ± 0.6atmAVGN/AAverage of 20 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.311l/molN/AAmbrose and Tsonopoulos, 1995 
Vc0.3098l/molN/AAftienjew and Zawisza, 1977Uncertainty assigned by TRC = 0.0003 l/mol; TRC
Vc0.295l/molN/ABeattie, Levine, et al., 1951Uncertainty assigned by TRC = 0.006 l/mol; TRC
Vc0.31482l/molN/ASage and Lacey, 1942Uncertainty assigned by TRC = 0.0031 l/mol; TRC
Quantity Value Units Method Reference Comment
rhoc3.22 ± 0.07mol/lAVGN/AAverage of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Deltavap6.3 ± 0.2kcal/molAVGN/AAverage of 11 values; Individual data points

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
6.164309.2N/AMajer and Svoboda, 1985 
6.2620298.15N/AMesserly and Kennedy, 1940P = 68.68 kPa; DH
6.38323.N/APfohl, Riebesell, et al., 2002Based on data from 308. - 423. K.; AC
7.12238.AStephenson and Malanowski, 1987Based on data from 223. - 352. K.; AC
7.72208.AStephenson and Malanowski, 1987Based on data from 143. - 223. K.; AC
6.24365.AStephenson and Malanowski, 1987Based on data from 350. - 422. K.; AC
6.26433.AStephenson and Malanowski, 1987Based on data from 418. - 470. K.; AC
6.67284.EBStephenson and Malanowski, 1987Based on data from 269. - 341. K. See also Osborn and Douslin, 1974.; AC
6.09310.N/ADas, Reed, et al., 1977AC
5.5350.N/ADas, Reed, et al., 1977AC
4.71390.N/ADas, Reed, et al., 1977AC
3.61430.N/ADas, Reed, et al., 1977AC
2.0460.N/ADas, Reed, et al., 1977AC

Enthalpy of vaporization

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

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) 260. - 428.
A (kcal/mol) 8.846
alpha -0.1238
beta 0.4121
Tc (K) 469.6
ReferenceMajer and Svoboda, 1985

Entropy of vaporization

DeltavapS (cal/mol*K) Temperature (K) Reference Comment
21.00298.15Messerly and Kennedy, 1940P; DH

Antoine Equation Parameters

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

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
268.8 - 341.373.98351070.617-40.454Osborn and Douslin, 1974Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
10.0143.BBondi, 1963AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
2.008143.47Messerly, Guthrie, et al., 1967DH
2.0112143.46Messerly and Kennedy, 1940DH
2.0143.5Acree, 1991AC
2.002143.4Parks and Huffman, 1930DH

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
14.00143.47Messerly, Guthrie, et al., 1967DH
14.02143.46Messerly and Kennedy, 1940DH
13.96143.4Parks and Huffman, 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, Henry's Law 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

1-Pentene + Hydrogen = Pentane

By formula: C5H10 + H2 = C5H12

Quantity Value Units Method Reference Comment
Deltar-30.27 ± 0.58kcal/molChydMolnar, Rachford, et al., 1984liquid phase; solvent: Dioxane; ALS
Deltar-29.87 ± 0.42kcal/molChydMolnar, Rachford, et al., 1984liquid phase; solvent: Hexane; ALS
Deltar-29.30 ± 0.57kcal/molChydRogers and Skanupong, 1974liquid phase; solvent: Hexane; ALS
Deltar-28.5 ± 0.3kcal/molChydRogers and McLafferty, 1971liquid phase; solvent: Hydrocarbon; ALS

C10H12CrO5 (solution) = Pentane (solution) + C5CrO5 (solution)

By formula: C10H12CrO5 (solution) = C5H12 (solution) + C5CrO5 (solution)

Quantity Value Units Method Reference Comment
Deltar8.91kcal/molN/AMorse, Parker, et al., 1989solvent: Pentane; 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-C5H12(solution) = Cr(CO)5(n-C5H12)(solution) + CO(solution), 27.89 kcal/mol Morse, Parker, et al., 1989; MS

Pentane (solution) + Chromium hexacarbonyl (solution) = C10H12CrO5 (solution) + Carbon monoxide (solution)

By formula: C5H12 (solution) + C6CrO6 (solution) = C10H12CrO5 (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Deltar27.9 ± 2.5kcal/molPACMorse, Parker, et al., 1989solvent: Pentane; The reaction enthalpy relies on 0.67 for the quantum yield of CO dissociation; MS

3Hydrogen + 3-Penten-1-yne, (Z)- = Pentane

By formula: 3H2 + C5H6 = C5H12

Quantity Value Units Method Reference Comment
Deltar-96.8 ± 0.1kcal/molChydRoth, Adamczak, et al., 1991liquid phase; ALS
Deltar-95.6 ± 1.1kcal/molChydSkinner and Snelson, 1959liquid phase; solvent: Acetic acid; ALS

3Hydrogen + 3-Penten-1-yne, (E)- = Pentane

By formula: 3H2 + C5H6 = C5H12

Quantity Value Units Method Reference Comment
Deltar-97.0 ± 0.3kcal/molChydRoth, Adamczak, et al., 1991liquid phase; ALS
Deltar-96.0 ± 0.4kcal/molChydSkinner and Snelson, 1959liquid phase; solvent: Acetic acid; ALS

2Hydrogen + 1,4-Pentadiene = Pentane

By formula: 2H2 + C5H8 = C5H12

Quantity Value Units Method Reference Comment
Deltar-60.22 ± 0.15kcal/molChydKistiakowsky, Ruhoff, et al., 1936gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -60.79 ± 0.15 kcal/mol; At 355 °K; ALS

Phenol (solution) + C5H11BrMg (solution) = C6H5BrMgO (solution) + Pentane (solution)

By formula: C6H6O (solution) + C5H11BrMg (solution) = C6H5BrMgO (solution) + C5H12 (solution)

Quantity Value Units Method Reference Comment
Deltar-48.4 ± 1.0kcal/molRSCHolm, 1983solvent: Diethyl ether; MS

C5H11BrMg (solution) + Hydrogen bromide (g) = Pentane (solution) + Br2Mg (solution)

By formula: C5H11BrMg (solution) + HBr (g) = C5H12 (solution) + Br2Mg (solution)

Quantity Value Units Method Reference Comment
Deltar-73.21 ± 0.53kcal/molRSCHolm, 1981solvent: Diethyl ether; MS

Ethanol (solution) + C5H11BrMg (solution) = C2H5BrMgO (solution) + Pentane (solution)

By formula: C2H6O (solution) + C5H11BrMg (solution) = C2H5BrMgO (solution) + C5H12 (solution)

Quantity Value Units Method Reference Comment
Deltar-47.7 ± 1.0kcal/molRSCHolm, 1983solvent: Diethyl ether; MS

C5H11BrMg (solution) + Methylamine (solution) = CH4BrMgN (solution) + Pentane (solution)

By formula: C5H11BrMg (solution) + CH5N (solution) = CH4BrMgN (solution) + C5H12 (solution)

Quantity Value Units Method Reference Comment
Deltar-31.19 ± 0.60kcal/molRSCHolm, 1983solvent: Diethyl ether; MS

2Hydrogen + Cyclopropane,ethenyl- = Pentane

By formula: 2H2 + C5H8 = C5H12

Quantity Value Units Method Reference Comment
Deltar-65.5 ± 0.2kcal/molChydRoth, Kirmse, et al., 1982liquid phase; solvent: Isooctane; ALS

C5O5W (g) + Pentane (g) = C10H12O5W (g)

By formula: C5O5W (g) + C5H12 (g) = C10H12O5W (g)

Quantity Value Units Method Reference Comment
Deltar-10.6 ± 3.0kcal/molEqGBrown, Ishikawa, et al., 1990Temperature range: ca. 300-350 K; MS

C5H11BrMg (solution) + Methane (solution) = Pentane (solution) + CH3BrMg (solution)

By formula: C5H11BrMg (solution) + CH4 (solution) = C5H12 (solution) + CH3BrMg (solution)

Quantity Value Units Method Reference Comment
Deltar-3.6 ± 1.0kcal/molRSCHolm, 1983solvent: Diethyl ether; MS

Propanedinitrile (solution) + C5H11BrMg (solution) = C3HBrMgN2 (solution) + Pentane (solution)

By formula: C3H2N2 (solution) + C5H11BrMg (solution) = C3HBrMgN2 (solution) + C5H12 (solution)

Quantity Value Units Method Reference Comment
Deltar-48.59kcal/molRSCHolm, 1983solvent: Diethyl ether; MS

Diphenylamine (solution) + C5H11BrMg (solution) = C12H10BrMgN (solution) + Pentane (solution)

By formula: C12H11N (solution) + C5H11BrMg (solution) = C12H10BrMgN (solution) + C5H12 (solution)

Quantity Value Units Method Reference Comment
Deltar-28.39kcal/molRSCHolm, 1983solvent: Diethyl ether; MS

C5H11BrMg (solution) + Trifluoroacetic acid (solution) = C2BrF3MgO2 (solution) + Pentane (solution)

By formula: C5H11BrMg (solution) + C2HF3O2 (solution) = C2BrF3MgO2 (solution) + C5H12 (solution)

Quantity Value Units Method Reference Comment
Deltar-65.39kcal/molRSCHolm, 1983solvent: Diethyl ether; MS

C5H11BrMg (solution) + Phenol, pentafluoro- (solution) = C6BrF5MgO (cr) + Pentane (solution)

By formula: C5H11BrMg (solution) + C6HF5O (solution) = C6BrF5MgO (cr) + C5H12 (solution)

Quantity Value Units Method Reference Comment
Deltar-55.90kcal/molRSCHolm, 1983solvent: Diethyl ether; MS

C5H11BrMg (solution) + Ethanol, 2,2,2-trifluoro- (solution) = C2H2BrF3MgO (solution) + Pentane (solution)

By formula: C5H11BrMg (solution) + C2H3F3O (solution) = C2H2BrF3MgO (solution) + C5H12 (solution)

Quantity Value Units Method Reference Comment
Deltar-47.71kcal/molRSCHolm, 1983solvent: Diethyl ether; MS

Methyl Alcohol (solution) + C5H11BrMg (solution) = CH3BrMgO (cr) + Pentane (solution)

By formula: CH4O (solution) + C5H11BrMg (solution) = CH3BrMgO (cr) + C5H12 (solution)

Quantity Value Units Method Reference Comment
Deltar-52.51kcal/molRSCHolm, 1983solvent: Diethyl ether; MS

2Hydrogen + 1,3-Pentadiene = Pentane

By formula: 2H2 + C5H8 = C5H12

Quantity Value Units Method Reference Comment
Deltar-54.11 ± 0.15kcal/molChydDolliver, Gresham, et al., 1937gas phase; At 355 °K; ALS

Pentane = Butane, 2-methyl-

By formula: C5H12 = C5H12

Quantity Value Units Method Reference Comment
Deltar-1.861kcal/molEqkPines, Kvetinskas, et al., 1945gas phase; Heat of isomerization; ALS

Hydrogen + 2-Pentene, (Z)- = Pentane

By formula: H2 + C5H10 = C5H12

Quantity Value Units Method Reference Comment
Deltar-28.1 ± 0.2kcal/molChydEgger and Benson, 1966gas phase; ALS

Hydrogen + 2-Pentene, (E)- = Pentane

By formula: H2 + C5H10 = C5H12

Quantity Value Units Method Reference Comment
Deltar-27.2 ± 0.2kcal/molChydEgger and Benson, 1966gas phase; ALS

Henry's Law data

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), 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) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 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)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.00078 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.00081 LN/A 
0.00080 VN/A 

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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)10.28 ± 0.10eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
10.37PITraeger, Hudson, et al., 1996T = 0K; LL
10.43ESTLuo and Pacey, 1992LL
10.22 ± 0.05EIHolmes and Lossing, 1991LL
10.28 ± 0.10EVALLias, 1982LBLHLM
10.18 ± 0.15EQMautner(Meot-Ner), Sieck, et al., 1981LLK
10.93PEKimura, Katsumata, et al., 1981LLK
10.2 ± 0.1PEBieri, Burger, et al., 1977LLK
10.50EQLias, Ausloos, et al., 1976LLK
10.36PEIkuta, Yoshihara, et al., 1973LLK
10.59 ± 0.05EIFlesch and Svec, 1973LLK
10.37PEDewar and Worley, 1969RDSH
10.35PIWatanabe, Nakayama, et al., 1962RDSH
10.9 ± 0.1PEBieri, Burger, et al., 1977Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H6+11.02C2H6PITraeger, Hudson, et al., 1996T = 0K; LL
C3H6+10.99 ± 0.02C2H6PISteiner, Giese, et al., 1961RDSH
C3H7+11.13C2H5PITraeger, Hudson, et al., 1996T = 0K; LL
C3H7+11.11 ± 0.05C2H5PISteiner, Giese, et al., 1961RDSH
C4H8+11.05CH4PITraeger, Hudson, et al., 1996T = 0K; LL
C4H8+11.00CH4EIWolkoff and Holmes, 1978LLK
C4H8+10.93 ± 0.03CH4PISteiner, Giese, et al., 1961RDSH
C4H9+11.10CH3PITraeger, Hudson, et al., 1996T = 0K; LL
C4H9+11.0 ± 0.1CH3EIBurgers and Holmes, 1982LBLHLM
C4H9+10.98 ± 0.05CH3EILossing and Semeluk, 1970RDSH
C4H9+11.06 ± 0.07CH3PISteiner, Giese, et al., 1961RDSH

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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, Henry's Law 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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1998.
NIST MS number 291244

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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, 1970
Good, W.D., The enthalpies of combustion and formation of the isomeric pentanes, J. Chem. Thermodyn., 1970, 2, 237-244. [all data]

Pilcher and Chadwick, 1967
Pilcher, G.; Chadwick, J.D.M., Measurements of heats of combustion by flame calorimetry. Part 4.-n-Pentane, isopentane, neopentane, Trans. Faraday Soc., 1967, 63, 2357-2361. [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]

Rossini, 1934
Rossini, F.D., Calorimetric determination of the heats of combustion of ethane, propane, normal butane, and normal pentane, J. Res. NBS, 1934, 12, 735-750. [all data]

Messerly G.H., 1940
Messerly G.H., The heat capacity and entropy, heats of fusion and vaporization and the vapor pressure of n-pentane, J. Am. Chem. Soc., 1940, 62, 2988-2991. [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]

Kharin V.E., 1985
Kharin V.E., Isobaric heat capacity of n-pentane in the vapor phase, Izv. Vyssh. Ucheb. Zaved., Neft. Gaz, 1985, 28, 63-66. [all data]

Sage B.H., 1937
Sage B.H., Phase equilibria in hydrocarbon systems. XX. Isobaric heat capacity of gaseous propane, n-butane, isobutane, and n-pentane, Ind. Eng. Chem., 1937, 29, 1309-1314. [all data]

Hossenlopp I.A., 1981
Hossenlopp I.A., Vapor heat capacities and enthalpies of vaporization of five alkane hydrocarbons, J. Chem. Thermodyn., 1981, 13, 415-421. [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
Pitzer K.S., The entropies and related properties of branched paraffin hydrocarbons, Chem. Rev., 1946, 39, 435-447. [all data]

Prosen and Rossini, 1944
Prosen, E.J.; Rossini, F.D., Heats of combustion of eight normal paraffin hydrocarbons in the liquid state, J. Res. NBS, 1944, 33, 255-272. [all data]

Messerly, Guthrie, et al., 1967
Messerly, J.F.; Guthrie, G.B.; Todd, S.S.; Finke, H.L., Low-temperature thermal data for n-pentane, n-heptadecane, and n-octadecane, J. Chem. Eng. Data, 1967, 12, 338-346. [all data]

Messerly and Kennedy, 1940
Messerly, G.H.; Kennedy, R.M., The heat capacity and entropy, heats of fusion and vaporization and the vapor pressure of n-pentane, J. Am. Chem. Soc., 1940, 62, 2988-2991. [all data]

Parks and Huffman, 1930
Parks, G.S.; Huffman, H.M., Thermal data on organic compounds. IX. A study of the effect of unsaturation on the heat capacities, entropies and free energies of some hydrocarbons and other compounds, J. Am. Chem. Soc., 1930, 52, 4381-4391. [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]

Ambrose and Tsonopoulos, 1995
Ambrose, D.; Tsonopoulos, C., Vapor-Liquid Critical Properties of Elements and Compounds. 2. Normal Alkenes, J. Chem. Eng. Data, 1995, 40, 531-546. [all data]

Aftienjew and Zawisza, 1977
Aftienjew, J.; Zawisza, A., High-pressure liquid vapour-equilibria, critical state and p(V,T,x) up to 503.15 and 4.560 MPa for n-pentane + n-perfluoropentane, J. Chem. Thermodyn., 1977, 9, 153-165. [all data]

Beattie, Levine, et al., 1951
Beattie, J.A.; Levine, S.W.; Douslin, D.R., The vapor pressure and critical constants of normal pentane, J. Am. Chem. Soc., 1951, 73, 4431. [all data]

Sage and Lacey, 1942
Sage, B.H.; Lacey, W.N., Phase equilibria in hydrocarbon systems. Thermodynamic properties of n- pentane., Ind. Eng. Chem., 1942, 34, 730-737. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Pfohl, Riebesell, et al., 2002
Pfohl, Oliver; Riebesell, Christine; Dohrn, Ralf, Measurement and calculation of phase equilibria in the system n-pentane + poly(dimethylsiloxane) at 308.15--423.15 K, Fluid Phase Equilibria, 2002, 202, 2, 289-306, https://doi.org/10.1016/S0378-3812(02)00123-1 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Osborn and Douslin, 1974
Osborn, Ann G.; Douslin, Donald R., Vapor-pressure relations for 15 hydrocarbons, J. Chem. Eng. Data, 1974, 19, 2, 114-117, https://doi.org/10.1021/je60061a022 . [all data]

Das, Reed, et al., 1977
Das, Tarun R.; Reed, Charles O.; Eubank, Philip T., PVT surface and thermodynamic properties of n-pentane, J. Chem. Eng. Data, 1977, 22, 1, 3-9, https://doi.org/10.1021/je60072a014 . [all data]

Bondi, 1963
Bondi, A., Heat of Siblimation of Molecular Crystals: A Catalog of Molecular Structure Increments., J. Chem. Eng. Data, 1963, 8, 3, 371-381, https://doi.org/10.1021/je60018a027 . [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]

Molnar, Rachford, et al., 1984
Molnar, A.; Rachford, R.; Smith, G.V.; Liu, R., Heats of hydrogenation by a simple and rapid flow calorimetric method, Appl. Catal., 1984, 9, 219-223. [all data]

Rogers and Skanupong, 1974
Rogers, D.W.; Skanupong, S., Heats of hydrogenation of sixteen terminal monoolefins. The alternating effect, J. Phys. Chem., 1974, 78, 2569-2572. [all data]

Rogers and McLafferty, 1971
Rogers, D.W.; McLafferty, F.J., A new hydrogen calorimeter. Heats of hydrogenation of allyl and vinyl unsaturation adjacent to a ring, Tetrahedron, 1971, 27, 3765-3775. [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]

Roth, Adamczak, et al., 1991
Roth, W.R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R., Die Berechnung von Resonanzenergien; das MM2ERW-Kraftfeld, Chem. Ber., 1991, 124, 2499-2521. [all data]

Skinner and Snelson, 1959
Skinner, H.A.; Snelson, A., Heats of hydrogenation Part 3., Trans. Faraday Soc., 1959, 55, 405-407. [all data]

Kistiakowsky, Ruhoff, et al., 1936
Kistiakowsky, G.B.; Ruhoff, J.R.; Smith, H.A.; Vaughan, W.E., Heats of organic reactions. IV. Hydrogenation of some dienes and of benzene, J. Am. Chem. Soc., 1936, 58, 146-153. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Holm, 1983
Holm, T., Acta Chem. Scand. B, 1983, 37, 797. [all data]

Holm, 1981
Holm, T., J. Chem. Soc., Perkin Trans. II, 1981, 464.. [all data]

Roth, Kirmse, et al., 1982
Roth, W.R.; Kirmse, W.; Hoffmann, W.; Lennartz, H.W., Heats of hydrogenation. III. Effect of fluoro substituents on the thermal rearrangement of cyclopropane systems, Chem. Ber., 1982, 115, 2508-2515. [all data]

Brown, Ishikawa, et al., 1990
Brown, C.E.; Ishikawa, Y.; Hackett, P.A.; Rayner, D.M., J. Am. Chem. Soc., 1990, 112, 2530. [all data]

Dolliver, Gresham, et al., 1937
Dolliver, M.a.; Gresham, T.L.; Kistiakowsky, G.B.; Vaughan, W.E., Heats of organic reactions. V. Heats of hydrogenation of various hydrocarbons, J. Am. Chem. Soc., 1937, 59, 831-841. [all data]

Pines, Kvetinskas, et al., 1945
Pines, H.; Kvetinskas, B.; Kassel, L.S.; Ipatieff, V.N., Determination of equilibrium constants for butanes and pentanes, J. Am. Chem. Soc., 1945, 67, 631-637. [all data]

Egger and Benson, 1966
Egger, K.W.; Benson, S.W., Nitric oxide and iodine catalyzed isomerization of olefins. VI. Thermodynamic data from equilibrium studies of the geometrical and positional isomerization of n-pentenes, J. Am. Chem. Soc., 1966, 88, 236-240. [all data]

Traeger, Hudson, et al., 1996
Traeger, J.C.; Hudson, C.E.; McAdoo, D.J., A photoionization study of the ion-neutral complexes [CH3CH+CH3CH2CH3] and [CH3CH2CH+CH3CH3] in the gas phase: Formation, H-transfer and C-C bond formation between partners, and channeling of energy into dissociation, J. Am. Soc. Mass Spectrom., 1996, 7, 73. [all data]

Luo and Pacey, 1992
Luo, Y.-R.; Pacey, P.D., Effects of alkyl substitution on ionization energies of alkanes and haloalkanes and on heats of formation of their molecular cations. Part 2. Alkanes and chloro-, bromo- and iodoalkanes, Int. J. Mass Spectrom. Ion Processes, 1992, 112, 63. [all data]

Holmes and Lossing, 1991
Holmes, J.L.; Lossing, F.P., Ionization energies of homologous organic compounds and correlation with molecular size, Org. Mass Spectrom., 1991, 26, 537. [all data]

Lias, 1982
Lias, S.G., Thermochemical information from ion-molecule rate constants, Ion Cyclotron Reson. Spectrom. 1982, 1982, 409. [all data]

Mautner(Meot-Ner), Sieck, et al., 1981
Mautner(Meot-Ner), M.; Sieck, L.W.; Ausloos, P., Ionization of normal alkanes: Enthalpy, entropy, structural, and isotope effects, J. Am. Chem. Soc., 1981, 103, 5342. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P., Valence ionization enrgies of hydrocarbons, Helv. Chim. Acta, 1977, 60, 2213. [all data]

Lias, Ausloos, et al., 1976
Lias, S.G.; Ausloos, P.; Horvath, Z., Charge transfer reactions in alkane and cycloalkane systems. Estimated ionization potentials, Int. J. Chem. Kinet., 1976, 8, 725. [all data]

Ikuta, Yoshihara, et al., 1973
Ikuta, S.; Yoshihara, K.; Shiokawa, T.; Jinno, M.; Yokoyama, Y.; Ikeda, S., Photoelectron spectroscopy of cyclohexane, cyclopentane, and some related compounds, Chem. Lett., 1973, 1237. [all data]

Flesch and Svec, 1973
Flesch, G.D.; Svec, H.J., Fragmentation reactions in the mass spectrometer for C2-C5 alkanes, J. Chem. Soc. Faraday Trans. 2, 1973, 69, 1187. [all data]

Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation, J. Chem. Phys., 1969, 50, 654. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Steiner, Giese, et al., 1961
Steiner, B.; Giese, C.F.; Inghram, M.G., Photoionization of alkanes. Dissociation of excited molecular ions, J. Chem. Phys., 1961, 34, 189. [all data]

Wolkoff and Holmes, 1978
Wolkoff, P.; Holmes, J.L., Fragmentations of alkane molecular ions, J. Am. Chem. Soc., 1978, 100, 7346. [all data]

Burgers and Holmes, 1982
Burgers, P.C.; Holmes, J.L., Metastable ion studies. XIII. The measurement of appearance energies of metastable peaks, Org. Mass Spectrom., 1982, 17, 123. [all data]

Lossing and Semeluk, 1970
Lossing, F.P.; Semeluk, G.P., Free radicals by mass spectrometry. XLII.Ionization potentials and ionic heats of formation for C1-C4 alkyl radicals, Can. J. Chem., 1970, 48, 955. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References