Pentane

Formula: C₅H₁₂
Molecular weight: 72.1488
IUPAC Standard InChI: InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
IUPAC Standard InChIKey: OFBQJSOFQDEBGM-UHFFFAOYSA-N
CAS Registry Number: 109-66-0
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.
Other names: n-Pentane; Skellysolve A; n-C5H12; Pentan; Pentanen; Pentani; Amyl hydride; NSC 72415
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Gas phase thermochemistry data

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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
Δ_fH°_gas	-35.08 ± 0.14	kcal/mol	Ccb	Good, 1970	ALS
Δ_fH°_gas	-35.16 ± 0.24	kcal/mol	Cm	Pilcher and Chadwick, 1967	ALS
Δ_fH°_gas	-35.00 ± 0.16	kcal/mol	Ccb	Prosen and Rossini, 1945	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_gas	-844.99 ± 0.23	kcal/mol	Cm	Pilcher and Chadwick, 1967	Corresponding Δ_fHº_gas = -35.16 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_gas	-845.27 ± 0.21	kcal/mol	Ccb	Rossini, 1934	Corresponding Δ_fHº_gas = -34.88 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity	Value	Units	Method	Reference	Comment
S°_gas	83.13 ± 0.20	cal/mol*K	N/A	Messerly G.H., 1940	Scott [ 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

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
28.697 ± 0.057	298.15	Kharin V.E., 1985	Experimental data [ Sage B.H., 1937] are less accurate than selected ones. Please also see Hossenlopp I.A., 1981.; GT
30.554 ± 0.062	323.15
32.481 ± 0.065	348.15
34.405 ± 0.069	373.15
36.310 ± 0.072	398.15
38.162 ± 0.076	423.15
40.002 ± 0.079	448.15
40.179	450.
41.766 ± 0.084	473.15
43.494 ± 0.086	498.15
43.592	500.
45.191 ± 0.091	523.15
46.836	550.
50.007	600.
53.043	650.
55.664	700.

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
22.36	200.	Scott D.W., 1974, 2	Recommended 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
26.900	273.15
28.69 ± 0.02	298.15
28.829	300.
36.460	400.
43.640	500.
49.900	600.
55.301	700.
59.900	800.
63.800	900.
67.299	1000.
70.201	1100.
72.801	1200.
75.000	1300.
77.000	1400.
79.001	1500.

Condensed phase thermochemistry data

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Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_liquid	-41.47 ± 0.14	kcal/mol	Ccb	Good, 1970	ALS
Δ_fH°_liquid	-41.36 ± 0.16	kcal/mol	Ccb	Prosen and Rossini, 1945	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-838.68 ± 0.11	kcal/mol	Ccb	Good, 1970	Corresponding Δ_fHº_liquid = -41.47 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-838.80 ± 0.14	kcal/mol	Ccb	Prosen and Rossini, 1945	Corresponding Δ_fHº_liquid = -41.35 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-838.71 ± 0.18	kcal/mol	Ccb	Prosen and Rossini, 1944	Corresponding Δ_fHº_liquid = -41.44 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	62.971	cal/mol*K	N/A	Messerly, Guthrie, et al., 1967	DH
S°_liquid	62.780	cal/mol*K	N/A	Messerly and Kennedy, 1940	DH
S°_liquid	62.00	cal/mol*K	N/A	Parks and Huffman, 1930	Extrapolation below 90 K, 56.61 J/mol*K.; DH

Constant pressure heat capacity of liquid

C_p,liquid (cal/mol*K)	Temperature (K)	Reference	Comment
40.30	298.	Grigor'ev, Rastorguev, et al., 1975	T = 300 to 463 K.; DH
39.959	298.15	Messerly, Guthrie, et al., 1967	T = 12 to 300 K.; DH
40.151	290.	Messerly and Kennedy, 1940	T = 12 to 290 K.; DH
39.01	290.0	Parks and Huffman, 1930	T = 93 to 290 K. Value is unsmoothed experimental datum.; DH

Phase change data

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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
T_boil	309.2 ± 0.2	K	AVG	N/A	Average of 81 out of 94 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_fus	143.4 ± 0.7	K	AVG	N/A	Average of 30 out of 31 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_triple	143.46 ± 0.05	K	AVG	N/A	Average of 6 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_c	469.8 ± 0.5	K	AVG	N/A	Average of 27 out of 31 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
P_c	33.1 ± 0.6	atm	AVG	N/A	Average of 20 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
V_c	0.311	l/mol	N/A	Ambrose and Tsonopoulos, 1995
V_c	0.3098	l/mol	N/A	Aftienjew and Zawisza, 1977	Uncertainty assigned by TRC = 0.0003 l/mol; TRC
V_c	0.295	l/mol	N/A	Beattie, Levine, et al., 1951	Uncertainty assigned by TRC = 0.006 l/mol; TRC
V_c	0.31482	l/mol	N/A	Sage and Lacey, 1942	Uncertainty assigned by TRC = 0.0031 l/mol; TRC
Quantity	Value	Units	Method	Reference	Comment
ρ_c	3.22 ± 0.07	mol/l	AVG	N/A	Average of 14 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_vapH°	6.3 ± 0.2	kcal/mol	AVG	N/A	Average of 11 values; Individual data points

Enthalpy of vaporization

Δ_vapH (kcal/mol)	Temperature (K)	Method	Reference	Comment
6.164	309.2	N/A	Majer and Svoboda, 1985
6.2620	298.15	N/A	Messerly and Kennedy, 1940	P = 68.68 kPa; DH
6.38	323.	N/A	Pfohl, Riebesell, et al., 2002	Based on data from 308. to 423. K.; AC
7.12	238.	A	Stephenson and Malanowski, 1987	Based on data from 223. to 352. K.; AC
7.72	208.	A	Stephenson and Malanowski, 1987	Based on data from 143. to 223. K.; AC
6.24	365.	A	Stephenson and Malanowski, 1987	Based on data from 350. to 422. K.; AC
6.26	433.	A	Stephenson and Malanowski, 1987	Based on data from 418. to 470. K.; AC
6.67	284.	EB	Stephenson and Malanowski, 1987	Based on data from 269. to 341. K. See also Osborn and Douslin, 1974.; AC
6.09	310.	N/A	Das, Reed, et al., 1977	AC
5.5	350.	N/A	Das, Reed, et al., 1977	AC
4.71	390.	N/A	Das, Reed, et al., 1977	AC
3.61	430.	N/A	Das, Reed, et al., 1977	AC
2.0	460.	N/A	Das, Reed, et al., 1977	AC

Enthalpy of vaporization

Δ_vapH = A exp(-αT_r) (1 − T_r)^β
Δ_vapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
T_r = reduced temperature (T / T_c)

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Temperature (K)	260. to 428.
A (kcal/mol)	8.846
α	-0.1238
β	0.4121
T_c (K)	469.6
Reference	Majer and Svoboda, 1985

Entropy of vaporization

Δ_vapS (cal/mol*K)	Temperature (K)	Reference	Comment
21.00	298.15	Messerly and Kennedy, 1940	P; DH

Antoine Equation Parameters

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

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Temperature (K)	A	B	C	Reference	Comment
268.8 to 341.37	3.9835	1070.617	-40.454	Osborn and Douslin, 1974	Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

Δ_subH (kcal/mol)	Temperature (K)	Method	Reference	Comment
10.0	143.	B	Bondi, 1963	AC

Enthalpy of fusion

Δ_fusH (kcal/mol)	Temperature (K)	Reference	Comment
2.008	143.47	Messerly, Guthrie, et al., 1967	DH
2.0112	143.46	Messerly and Kennedy, 1940	DH
2.0	143.5	Acree, 1991	AC
2.002	143.4	Parks and Huffman, 1930	DH

Entropy of fusion

Δ_fusS (cal/mol*K)	Temperature (K)	Reference	Comment
14.00	143.47	Messerly, Guthrie, et al., 1967	DH
14.02	143.46	Messerly and Kennedy, 1940	DH
13.96	143.4	Parks and Huffman, 1930	DH

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:

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes

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 501.15 K and 4.560 MPa for n-Pentane + n-Perfluoropentane, J. Chem. Thermodyn., 1977, 9, 2, 153-165, https://doi.org/10.1016/0021-9614(77)90081-7 . [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]

Notes

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Symbols used in this document:

C_p,gas	Constant pressure heat capacity of gas
C_p,liquid	Constant pressure heat capacity of liquid
P_c	Critical pressure
S°_gas	Entropy of gas at standard conditions
S°_liquid	Entropy of liquid at standard conditions
T_boil	Boiling point
T_c	Critical temperature
T_fus	Fusion (melting) point
T_triple	Triple point temperature
V_c	Critical volume
Δ_cH°_gas	Enthalpy of combustion of gas at standard conditions
Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions
Δ_fusH	Enthalpy of fusion
Δ_fusS	Entropy of fusion
Δ_subH	Enthalpy of sublimation
Δ_vapH	Enthalpy of vaporization
Δ_vapH°	Enthalpy of vaporization at standard conditions
Δ_vapS	Entropy of vaporization
ρ_c	Critical density

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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