Pentane, 2-methyl-
- Formula: C6H14
- Molecular weight: 86.1754
- IUPAC Standard InChIKey: AFABGHUZZDYHJO-UHFFFAOYSA-N
- CAS Registry Number: 107-83-5
- 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: Isohexane; 2-Methylpentane; (CH3)2CH(CH2)2CH3; Methyl pentane; UN 1208; UN 2462; Esano isomeri
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Phase change 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:
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 |
---|---|---|---|---|---|
Tboil | 334. ± 1. | K | AVG | N/A | Average of 71 out of 73 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 120. ± 7. | K | AVG | N/A | Average of 21 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 119.55 | K | N/A | Douslin and Huffman, 1946 | Uncertainty assigned by TRC = 0.07 K; TRC |
Ttriple | 119.55 | K | N/A | Huffman, 1945 | Uncertainty assigned by TRC = 0.03 K; based on To = 273.16 K; TRC |
Ttriple | 119.7 | K | N/A | Stull, 1937 | Uncertainty assigned by TRC = 0.1 K; measured by Wojciechowski; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 497.8 ± 0.4 | K | AVG | N/A | Average of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 30.35 ± 0.07 | bar | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.368 | l/mol | N/A | Daubert, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.72 ± 0.02 | mol/l | N/A | Daubert, 1996 | |
ρc | 2.734 | mol/l | N/A | Holcomb, Magee, et al., 1995 | Uncertainty assigned by TRC = 0.05 mol/l; TRC |
ρc | 2.72 | mol/l | N/A | Genco, Teja, et al., 1980 | Uncertainty assigned by TRC = 0.06 mol/l; TRC |
ρc | 2.73 | mol/l | N/A | Kay, 1946 | Uncertainty assigned by TRC = 0.02 mol/l; by extrapolation of rectilinear diameter to Tc; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 29. ± 4. | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
27.79 | 333.4 | N/A | Majer and Svoboda, 1985 | |
30.2 | 305. | N/A | Sapei, Uusi-Kyyny, et al., 2010 | Based on data from 290. to 333. K.; AC |
30.0 | 316. | N/A | Pokki, Uusi-Kyyny, et al., 2002 | Based on data from 301. to 333. K.; AC |
29.7 | 325. | N/A | Aucejo, Loras, et al., 1998 | Based on data from 310. to 359. K.; AC |
30.5 | 308. | A | Stephenson and Malanowski, 1987 | Based on data from 293. to 335. K.; AC |
28.7 ± 0.1 | 318. | C | Waddington, Smith, et al., 1949 | AC |
27.8 ± 0.1 | 333. | C | Waddington, Smith, et al., 1949 | AC |
30.4 | 301. | MM | Willingham, Taylor, et al., 1945 | Based on data from 286. to 334. K.; AC |
29.8 ± 0.2 | 293. | C | Lemons and Felsing, 1943 | AC |
29.0 ± 0.2 | 313. | C | Lemons and Felsing, 1943 | AC |
27.6 ± 0.2 | 333. | C | Lemons and Felsing, 1943 | AC |
26.9 ± 0.2 | 353. | C | Lemons and Felsing, 1943 | AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kJ/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | A (kJ/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
298. to 333. | 45.25 | 0.2739 | 497.5 | Majer and Svoboda, 1985 |
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 |
---|---|---|---|---|
285.91 to 334.22 | 3.9640 | 1135.41 | -46.578 | Williamham, Taylor, et al., 1945 |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.268 | 119.55 | Douslin and Huffman, 1946, 2 | DH |
6.27 | 119.6 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
52.43 | 119.55 | Douslin and Huffman, 1946, 2 | DH |
IR Spectrum
Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Coblentz Society, Inc.
- LIQUID (NEAT); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
- SOLUTION (10% IN CCl4 FOR 3800-1300, 10% IN CS2 FOR 1300-650, AND 10% CCl4 FOR 650-240 CM-1) VERSUS SOLVENT; PERKIN-ELMER 521 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Phase change 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.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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. |
---|---|
NIST MS number | 19377 |
References
Go To: Top, Phase change 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.
Douslin and Huffman, 1946
Douslin, D.R.; Huffman, H.M.,
Low-Temperature Thermal Data on the Five Isomeric Hexanes,
J. Am. Chem. Soc., 1946, 68, 1704. [all data]
Huffman, 1945
Huffman, H.M.,
Personal Commun., U. S. Bur. Mines, Bartlesville, OK, July 25, 1945. [all data]
Stull, 1937
Stull, D.R.,
A Semi-micro Calorimeter for Measuring Heat Capacities at Low Temp.,
J. Am. Chem. Soc., 1937, 59, 2726. [all data]
Daubert, 1996
Daubert, T.E.,
Vapor-Liquid Critical Properties of Elements and Compounds. 5. Branched Alkanes and Cycloalkanes,
J. Chem. Eng. Data, 1996, 41, 365-372. [all data]
Holcomb, Magee, et al., 1995
Holcomb, C.D.; Magee, J.W.; Haynes, W.M.,
Density Measurements on Natural Gas Liquids, Research Report RR-147, Gas Processors Association Project 916, 1995. [all data]
Genco, Teja, et al., 1980
Genco, J.M.; Teja, A.S.; Kay, W.B.,
Study of the critical and azeotropic behavior of binary mixtures I critical states of perfluoromethylcyclohexane + isomeric hexane systems,
J. Chem. Eng. Data, 1980, 25, 350. [all data]
Kay, 1946
Kay, W.B.,
The Vapor Pressures and Saturated Liquid and Vapor Densities of the Isomeric Hexanes,
J. Am. Chem. Soc., 1946, 68, 1336. [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]
Sapei, Uusi-Kyyny, et al., 2010
Sapei, Erlin; Uusi-Kyyny, Petri; Keskinen, Kari I.; Alopaeus, Ville,
Phase equilibria of binary systems of 3-methylthiophene with four different hydrocarbons,
Fluid Phase Equilibria, 2010, 288, 1-2, 155-160, https://doi.org/10.1016/j.fluid.2009.11.004
. [all data]
Pokki, Uusi-Kyyny, et al., 2002
Pokki, Juha-Pekka; Uusi-Kyyny, Petri; Aittamaa, Juhani; Liukkonen, Simo,
Vapor-Liquid Equilibrium for the 2-Methylpentane + 2-Methyl-2-propanol and + 2-Butanol Systems at 329 K,
J. Chem. Eng. Data, 2002, 47, 2, 371-375, https://doi.org/10.1021/je0155296
. [all data]
Aucejo, Loras, et al., 1998
Aucejo, Antonio; Loras, Sonia; Muñoz, Rosa; Reich, Ricardo; Segura, Hugo,
Isobaric Vapor-Liquid Equilibrium in the Systems 2-Methylpentane + Methyl 1,1-Dimethylethyl Ether, + Ethyl 1,1-Dimethylethyl Ether, and + Methyl 1,1-Dimethylpropyl Ether,
J. Chem. Eng. Data, 1998, 43, 6, 973-977, https://doi.org/10.1021/je980090b
. [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]
Waddington, Smith, et al., 1949
Waddington, G.; Smith, J.C.; Scott, D.W.; Huffman, H.M.,
Experimental vapor heat capacities and heats of vaporization of 2-methylpentane, 3-methylpentane and 2,3-dimethylbutane,
J. Am. Chem. Soc., 1949, 71, 3902-3906. [all data]
Willingham, Taylor, et al., 1945
Willingham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D.,
Vapor pressures and boiling points of some paraffin, alkylcyclopentane, alkylcyclohexane, and alkylbenzene hydrocarbons,
J. RES. NATL. BUR. STAN., 1945, 35, 3, 219-17, https://doi.org/10.6028/jres.035.009
. [all data]
Lemons and Felsing, 1943
Lemons, Joe Fred; Felsing, W.A.,
The Heats of Vaporization of Some Hexanes 1,
J. Am. Chem. Soc., 1943, 65, 1, 46-48, https://doi.org/10.1021/ja01241a015
. [all data]
Williamham, Taylor, et al., 1945
Williamham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D.,
Vapor Pressures and Boiling Points of Some Paraffin, Alkylcyclopentane, Alkylcyclohexane, and Alkylbenzene Hydrocarbons,
J. Res. Natl. Bur. Stand. (U.S.), 1945, 35, 3, 219-244, https://doi.org/10.6028/jres.035.009
. [all data]
Douslin and Huffman, 1946, 2
Douslin, D.R.; Huffman, H.M.,
Low-temperature thermal data on the five isometric hexanes,
J. Am. Chem. Soc., 1946, 68, 1704-1708. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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