Pentane, 2,3-dimethyl-
- Formula: C7H16
- Molecular weight: 100.2019
- IUPAC Standard InChIKey: WGECXQBGLLYSFP-UHFFFAOYSA-N
- CAS Registry Number: 565-59-3
- 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. - Stereoisomers:
- Other names: 2,3-Dimethylpentane; 3,4-Dimethylpentane
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Phase change data
Go To: Top, Reaction thermochemistry 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:
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 362.9 ± 0.3 | K | AVG | N/A | Average of 35 out of 39 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 149.36 | K | N/A | Anonymous, 1961 | Uncertainty assigned by TRC = 0.05 K; TRC |
Tfus | 139.85 | K | N/A | Brooks, Cleaton, et al., 1937 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 537.3 ± 0.5 | K | N/A | Daubert, 1996 | |
Tc | 537.29 | K | N/A | McMicking and Kay, 1965 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tc | 537. | K | N/A | Francis, 1957 | Uncertainty assigned by TRC = 1. K; TRC |
Tc | 537.75 | K | N/A | Edgar and Calingaert, 1929 | Uncertainty assigned by TRC = 0.5 K; measured by Keys and Kleinschmidt; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 29.1 ± 0.5 | bar | N/A | Daubert, 1996 | |
Pc | 29.080 | bar | N/A | McMicking and Kay, 1965 | Uncertainty assigned by TRC = 0.4053 bar; TRC |
Pc | 29.5869 | bar | N/A | Edgar and Calingaert, 1929 | Uncertainty assigned by TRC = 0.5066 bar; measured by Keys and Kleinschmidt; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.393 | l/mol | N/A | Daubert, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.54 ± 0.05 | mol/l | N/A | Daubert, 1996 | |
ρc | 2.54 | mol/l | N/A | McMicking and Kay, 1965 | Uncertainty assigned by TRC = 0.05 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 34.3 ± 0.1 | kJ/mol | C | Majer, Svoboda, et al., 1979 | AC |
ΔvapH° | 34.2 ± 0.1 | kJ/mol | C | Osborne and Ginnings, 1947 | AC |
ΔvapH° | 34.23 | kJ/mol | C | Osborne and Ginnings, 1947, 2 | ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
33.0 | 324. | N/A | Montón, de la Torre, et al., 1999 | Based on data from 309. to 371. K.; AC |
35.9 | 271. | A | Stephenson and Malanowski, 1987 | Based on data from 208. to 286. K.; AC |
34.5 | 301. | A | Stephenson and Malanowski, 1987 | Based on data from 286. to 365. K. See also Kkykj and Repas, 1973.; AC |
33.4 ± 0.1 | 313. | C | Majer, Svoboda, et al., 1979 | AC |
32.2 ± 0.1 | 333. | C | Majer, Svoboda, et al., 1979 | AC |
31.1 ± 0.1 | 353. | C | Majer, Svoboda, et al., 1979 | AC |
34.4 | 306. | N/A | Forziati, Norris, et al., 1949 | Based on data from 291. to 364. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
290.67 to 363.83 | 3.98682 | 1242.609 | -50.806 | Forziati, Norris, et al., 1949, 2 | Coefficents calculated by NIST from author's data. |
Reaction thermochemistry data
Go To: Top, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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
By formula: C7H14 + H2 = C7H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -106.4 ± 1.6 | kJ/mol | Chyd | Rogers and Dejroongruang, 1989 | liquid phase; solvent: Cyclohexane |
ΔrH° | -113. ± 4.6 | kJ/mol | Chyd | Lopes, Nunes, et al., 1975 | liquid phase; solvent: Acetic acid |
By formula: C7H16 = C7H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -9.1 ± 1.1 | kJ/mol | Ccb | Prosen and Rossini, 1941 | liquid phase; Heat of Isomerization |
ΔrH° | -11.7 ± 1.3 | kJ/mol | Ccb | Prosen and Rossini, 1941 | gas phase; Heat of Isomerization |
By formula: H2 + C7H14 = C7H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -114.0 ± 1.3 | kJ/mol | Chyd | Rogers and Dejroongruang, 1989 | liquid phase; solvent: Cyclohexane |
By formula: H2 + C7H14 = C7H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -108.0 ± 0.4 | kJ/mol | Chyd | Rogers and Dejroongruang, 1989 | liquid phase; solvent: Cyclohexane |
By formula: H2 + C7H14 = C7H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -108.3 ± 0.4 | kJ/mol | Chyd | Rogers and Dejroongruang, 1989 | liquid phase; solvent: Cyclohexane |
By formula: H2 + C7H14 = C7H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -113.5 ± 0.7 | kJ/mol | Chyd | Rogers and Dejroongruang, 1989 | liquid phase; solvent: Cyclohexane |
By formula: H2 + C7H14 = C7H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 121.8 ± 0.8 | kJ/mol | Chyd | Rogers and Dejroongruang, 1989 | liquid phase; solvent: Cyclohexane |
References
Go To: Top, Phase change data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Anonymous, 1961
Anonymous, R.,
Preliminary thermodyn. prop. of FREON-14, E. I. Du Pont, Freon Tech. Bull. T-14, 1961. [all data]
Brooks, Cleaton, et al., 1937
Brooks, D.B.; Cleaton, R.B.; Carter, F.R.,
Paraffin Hydrocarbons Isolated from Crude Synthetic Isooctane (2,2,4-Trimethylpentane),
J. Res. Natl. Bur. Stand. (U. S.), 1937, 19, 319. [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]
McMicking and Kay, 1965
McMicking, J.H.; Kay, W.B.,
Vapor Pressures and Saturated Liquid and Vapor Densities of The Isomeric Heptanes and Isomeric Octanes,
Proc., Am. Pet. Inst., Sect. 3, 1965, 45, 75-90. [all data]
Francis, 1957
Francis, A.W.,
Pressure-Temperature-Liquid Density Relations of Pure Hydrocarbons,
Ind. Eng. Chem., 1957, 49, 1779. [all data]
Edgar and Calingaert, 1929
Edgar, G.; Calingaert, G.,
Preparation and Properties of the Isomeric Heptanes II. Physical Prop. properties,
J. Am. Chem. Soc., 1929, 51, 1540. [all data]
Majer, Svoboda, et al., 1979
Majer, Vladimír; Svoboda, Václav; Hála, Slavoj; Pick, Jirí,
Temperature dependence of heats of vaporization of saturated hydrocarbons C5-C8; Experimental data and an estimation method,
Collect. Czech. Chem. Commun., 1979, 44, 3, 637-651, https://doi.org/10.1135/cccc19790637
. [all data]
Osborne and Ginnings, 1947
Osborne, Nathan S.; Ginnings, Defoe C.,
Measurements of heat of vaporization and heat capacity of a number of hydrocarbons,
J. RES. NATL. BUR. STAN., 1947, 39, 5, 453-17, https://doi.org/10.6028/jres.039.031
. [all data]
Osborne and Ginnings, 1947, 2
Osborne, N.S.; Ginnings, D.C.,
Measurements of heat of vaporization and heat capacity of a number of hydrocarbons,
J. Res. NBS, 1947, 39, 453-477. [all data]
Montón, de la Torre, et al., 1999
Montón, Juan B.; de la Torre, Javier; Burguet, M.C.; Muñoz, Rosa; Loras, Sonia,
Isobaric Vapor-Liquid Equilibrium in the Systems 2,3-Dimethylpentane + Methyl 1,1-Dimethylethyl Ether, + Diisopropyl Ether and + Methyl 1,1-Dimethylpropyl Ether,
J. Chem. Eng. Data, 1999, 44, 6, 1158-1162, https://doi.org/10.1021/je990110p
. [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]
Kkykj and Repas, 1973
Kkykj, J.; Repas, M.,
Petrochemia, 1973, 13, 179. [all data]
Forziati, Norris, et al., 1949
Forziati, Alphonse F.; Norris, William R.; Rossini, Frederick D.,
Vapor pressures and boiling points of sixty API-NBS hydrocarbons,
J. RES. NATL. BUR. STAN., 1949, 43, 6, 555-17, https://doi.org/10.6028/jres.043.050
. [all data]
Forziati, Norris, et al., 1949, 2
Forziati, A.F.; Norris, W.R.; Rossini, F.D.,
Vapor Pressures and Boiling Points of Sixty API-NBS Hydrocarbons,
J. Res. Natl. Bur. Stand. (U.S.), 1949, 43, 6, 555-563, https://doi.org/10.6028/jres.043.050
. [all data]
Rogers and Dejroongruang, 1989
Rogers, D.W.; Dejroongruang, K.,
Enthalpies of hydrogenation of the dimethylpentenes, ethylpentenes, methylbutene, and trimethylbutene,
J. Chem. Thermodyn., 1989, 21, 1115-1120. [all data]
Lopes, Nunes, et al., 1975
Lopes, M.T.R.; Nunes, M.F.T.; Florencio, M.H.F.S.; Mota, M.M.G.; Fernandez, M.T.N.,
Heats of hydrogenation in solution. I. Calorimeter for semimicro determinations,
Rev. Port. Quim., 1975, 15, 129-132. [all data]
Prosen and Rossini, 1941
Prosen, E.J.R.; Rossini, F.D.,
Heats of isomerization of the nine heptanes,
J. Res. NBS, 1941, 27, 519-528. [all data]
Notes
Go To: Top, Phase change data, Reaction thermochemistry data, References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Vc Critical volume ΔrH° Enthalpy of reaction at standard conditions 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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