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
Go To: Top, 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 |
|---|---|---|---|---|---|
| ΔfH°gas | -35.08 ± 0.14 | kcal/mol | Ccb | Good, 1970 | ALS |
| ΔfH°gas | -35.16 ± 0.24 | kcal/mol | Cm | Pilcher and Chadwick, 1967 | ALS |
| ΔfH°gas | -35.00 ± 0.16 | kcal/mol | Ccb | Prosen and Rossini, 1945 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°gas | -844.99 ± 0.23 | kcal/mol | Cm | Pilcher and Chadwick, 1967 | Corresponding ΔfHºgas = -35.16 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°gas | -845.27 ± 0.21 | kcal/mol | Ccb | Rossini, 1934 | Corresponding ΔfHºgas = -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
| Cp,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
| Cp,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. |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Coblentz Society, Inc.
- GAS (6 mmHg DILUTED TO A TOTAL PRESSURE OF 600 mmHg WITH N2); PERKIN-ELMER 180; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- GAS (6 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); PERKIN-ELMER 180; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 1 CM-1 AT 4000 cm-1 resolution
- LIQUID (NEAT); CARY 90 (GRATING); 2 cm-1 resolution
- SOLUTION (CCl4, CS2) VS SOLVENT; CARY 90 (GRATING); DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY (ADJUSTED addcm-10-0-5); 2 cm-1 resolution
- VAPOR (440 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); PERKIN-ELMER 180; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 2 CM-1 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Gas phase 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 Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| 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 |
References
Go To: Top, Gas phase 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.
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]
Notes
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas S°gas Entropy of gas at standard conditions ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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