Pentane
- Formula: C5H12
- Molecular weight: 72.1488
- 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
Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -146.8 ± 0.59 | kJ/mol | Ccb | Good, 1970 | ALS |
ΔfH°gas | -147.1 ± 1.0 | kJ/mol | Cm | Pilcher and Chadwick, 1967 | ALS |
ΔfH°gas | -146.4 ± 0.67 | kJ/mol | Ccb | Prosen and Rossini, 1945 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -3535.4 ± 0.96 | kJ/mol | Cm | Pilcher and Chadwick, 1967 | Corresponding ΔfHºgas = -147.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°gas | -3536.6 ± 0.88 | kJ/mol | Ccb | Rossini, 1934 | Corresponding ΔfHºgas = -145.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 347.82 ± 0.84 | J/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
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
120.07 ± 0.24 | 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 |
127.84 ± 0.26 | 323.15 | ||
135.90 ± 0.27 | 348.15 | ||
143.95 ± 0.29 | 373.15 | ||
151.92 ± 0.30 | 398.15 | ||
159.67 ± 0.32 | 423.15 | ||
167.37 ± 0.33 | 448.15 | ||
168.11 | 450. | ||
174.75 ± 0.35 | 473.15 | ||
181.98 ± 0.36 | 498.15 | ||
182.39 | 500. | ||
189.08 ± 0.38 | 523.15 | ||
195.96 | 550. | ||
209.23 | 600. | ||
221.93 | 650. | ||
232.90 | 700. |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
93.55 | 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 |
112.55 | 273.15 | ||
120.0 ± 0.1 | 298.15 | ||
120.62 | 300. | ||
152.55 | 400. | ||
182.59 | 500. | ||
208.78 | 600. | ||
231.38 | 700. | ||
250.62 | 800. | ||
266.94 | 900. | ||
281.58 | 1000. | ||
293.72 | 1100. | ||
304.60 | 1200. | ||
313.80 | 1300. | ||
322.17 | 1400. | ||
330.54 | 1500. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -173.5 ± 0.59 | kJ/mol | Ccb | Good, 1970 | ALS |
ΔfH°liquid | -173.1 ± 0.67 | kJ/mol | Ccb | Prosen and Rossini, 1945 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -3509.0 ± 0.46 | kJ/mol | Ccb | Good, 1970 | Corresponding ΔfHºliquid = -173.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -3509.5 ± 0.59 | kJ/mol | Ccb | Prosen and Rossini, 1945 | Corresponding ΔfHºliquid = -173.0 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -3509.2 ± 0.75 | kJ/mol | Ccb | Prosen and Rossini, 1944 | Corresponding ΔfHºliquid = -173.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 263.47 | J/mol*K | N/A | Messerly, Guthrie, et al., 1967 | DH |
S°liquid | 262.67 | J/mol*K | N/A | Messerly and Kennedy, 1940 | DH |
S°liquid | 259.4 | J/mol*K | N/A | Parks and Huffman, 1930 | Extrapolation below 90 K, 56.61 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
168.6 | 298. | Grigor'ev, Rastorguev, et al., 1975 | T = 300 to 463 K.; DH |
167.19 | 298.15 | Messerly, Guthrie, et al., 1967 | T = 12 to 300 K.; DH |
167.99 | 290. | Messerly and Kennedy, 1940 | T = 12 to 290 K.; DH |
163.2 | 290.0 | Parks and Huffman, 1930 | T = 93 to 290 K. Value is unsmoothed experimental datum.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Henry's Law data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
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 |
---|---|---|---|---|---|
Tboil | 309.2 ± 0.2 | K | AVG | N/A | Average of 81 out of 94 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 143.4 ± 0.7 | K | AVG | N/A | Average of 30 out of 31 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 143.46 ± 0.05 | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 469.8 ± 0.5 | K | AVG | N/A | Average of 27 out of 31 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 33.6 ± 0.6 | bar | AVG | N/A | Average of 20 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.311 | l/mol | N/A | Ambrose and Tsonopoulos, 1995 | |
Vc | 0.3098 | l/mol | N/A | Aftienjew and Zawisza, 1977 | Uncertainty assigned by TRC = 0.0003 l/mol; TRC |
Vc | 0.295 | l/mol | N/A | Beattie, Levine, et al., 1951 | Uncertainty assigned by TRC = 0.006 l/mol; TRC |
Vc | 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 |
ρc | 3.22 ± 0.07 | mol/l | AVG | N/A | Average of 14 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 26.5 ± 0.6 | kJ/mol | AVG | N/A | Average of 11 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
25.79 | 309.2 | N/A | Majer and Svoboda, 1985 | |
26.200 | 298.15 | N/A | Messerly and Kennedy, 1940 | P = 68.68 kPa; DH |
26.7 | 323. | N/A | Pfohl, Riebesell, et al., 2002 | Based on data from 308. to 423. K.; AC |
29.8 | 238. | A | Stephenson and Malanowski, 1987 | Based on data from 223. to 352. K.; AC |
32.3 | 208. | A | Stephenson and Malanowski, 1987 | Based on data from 143. to 223. K.; AC |
26.1 | 365. | A | Stephenson and Malanowski, 1987 | Based on data from 350. to 422. K.; AC |
26.2 | 433. | A | Stephenson and Malanowski, 1987 | Based on data from 418. to 470. K.; AC |
27.9 | 284. | EB | Stephenson and Malanowski, 1987 | Based on data from 269. to 341. K. See also Osborn and Douslin, 1974.; AC |
25.5 | 310. | N/A | Das, Reed, et al., 1977 | AC |
23. | 350. | N/A | Das, Reed, et al., 1977 | AC |
19.7 | 390. | N/A | Das, Reed, et al., 1977 | AC |
15.1 | 430. | N/A | Das, Reed, et al., 1977 | AC |
8.5 | 460. | N/A | Das, Reed, et al., 1977 | AC |
Enthalpy of vaporization
ΔvapH = A exp(-αTr)
(1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kJ/mol)
Tr = reduced temperature (T / Tc)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | 260. to 428. |
---|---|
A (kJ/mol) | 37.01 |
α | -0.1238 |
β | 0.4121 |
Tc (K) | 469.6 |
Reference | Majer and Svoboda, 1985 |
Entropy of vaporization
ΔvapS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
87.88 | 298.15 | Messerly and Kennedy, 1940 | P; DH |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
268.8 to 341.37 | 3.9892 | 1070.617 | -40.454 | Osborn and Douslin, 1974 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
42.0 | 143. | B | Bondi, 1963 | AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.401 | 143.47 | Messerly, Guthrie, et al., 1967 | DH |
8.4149 | 143.46 | Messerly and Kennedy, 1940 | DH |
8.4 | 143.5 | Acree, 1991 | AC |
8.376 | 143.4 | Parks and Huffman, 1930 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
58.56 | 143.47 | Messerly, Guthrie, et al., 1967 | DH |
58.66 | 143.46 | Messerly and Kennedy, 1940 | DH |
58.41 | 143.4 | Parks and Huffman, 1930 | DH |
Henry's Law data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.00078 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.00081 | L | N/A | ||
0.00080 | V | N/A |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°gas Entropy of gas at standard conditions S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ΔvapS Entropy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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