1-Pentene, 4-methyl-
- Formula: C6H12
- Molecular weight: 84.1595
- IUPAC Standard InChIKey: WSSSPWUEQFSQQG-UHFFFAOYSA-N
- CAS Registry Number: 691-37-2
- 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: 4-Methyl-1-pentene; (CH3)2CHCH2CH=CH2; 4-Methylpentene-(1); Isobutylethene; 4-methylpent-1-ene
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Gas phase thermochemistry data
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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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -11.82 ± 0.16 | kcal/mol | Ccb | Steele, Chirico, et al., 1997 |
Condensed phase thermochemistry data
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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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -18.70 ± 0.15 | kcal/mol | Ccb | Steele, Chirico, et al., 1997 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -955.50 ± 0.13 | kcal/mol | Ccb | Steele, Chirico, et al., 1997 | Corresponding ΔfHºliquid = -18.70 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
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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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 327.0 ± 0.3 | K | AVG | N/A | Average of 21 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 130. ± 30. | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 495. | K | N/A | Steele, Chirico, et al., 1997, 2 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 32.47 | atm | N/A | Steele, Chirico, et al., 1997, 2 | Uncertainty assigned by TRC = 1.48 atm; derived from fit of obs. vapor pressure; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.83 | mol/l | N/A | Steele, Chirico, et al., 1997, 2 | Uncertainty assigned by TRC = 0.12 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 6.88 ± 0.05 | kcal/mol | V | Steele, Chirico, et al., 1997 | ALS |
ΔvapH° | 6.84 ± 0.05 | kcal/mol | EB | Steele, Chirico, et al., 1997, 3 | Based on data from 310. to 360. K.; AC |
ΔvapH° | 6.86 | kcal/mol | N/A | Reid, 1972 | AC |
ΔvapH° | 6.86 | kcal/mol | V | Camin and Rossini, 1956 | ALS |
ΔvapH° | 6.86 | kcal/mol | N/A | Pennington, Scott, et al., 1956 | Based on data from 287. to 328. K.; AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
6.55 ± 0.07 | 320. | EB | Steele, Chirico, et al., 1997, 3 | Based on data from 310. to 360. K.; AC |
6.26 ± 0.1 | 340. | EB | Steele, Chirico, et al., 1997, 3 | Based on data from 310. to 360. K.; AC |
6.0 ± 0.1 | 360. | EB | Steele, Chirico, et al., 1997, 3 | Based on data from 310. to 360. K.; AC |
7.19 | 280. | A | Stephenson and Malanowski, 1987 | Based on data from 265. to 333. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.18 | 118.9 | Lebedev, Smirnova, et al., 1994 | AC |
Reaction thermochemistry 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: 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: C6H12 = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.83 ± 0.37 | kcal/mol | Ciso | Bartolo and Rossini, 1960 | liquid phase; Calculated from ΔHc |
By formula: H2 + C6H12 = C6H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -30.28 ± 0.10 | kcal/mol | Chyd | Rogers, Crooks, et al., 1987 | liquid phase |
By formula: C6H12 = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.65 ± 0.10 | kcal/mol | Eqk | Yursha and Kabo, 1976 | liquid phase; At 394.5K |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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.
Steele, Chirico, et al., 1997
Steele, W.V.; Chirico, R.D.; Cowell, A.B.; Knipmeyer, S.E.; Nguyen, A.,
Thermodynamic properties and ideal-gas enthalpies of formation for 2-aminoisobutyric acid (2-methylalanine), acetic acid, (4-methyl-3-penten-2-one), 4-methylpent-1-ene, 2,2'-bis(phenylthio)propane, and glycidyl phenyl ether (1,2-epoxy-3-phenoxypropane),
J. Chem. Eng. Data, 1997, 42, 1052-1066. [all data]
Steele, Chirico, et al., 1997, 2
Steele, W.V.; Chirico, R.D.; Cowell, A.B.; Knipmeyer, S.E.; Nguyen, A.,
Thermodynamic Properties and Ideal-Gas Enthalpies of FOrmation for 2-Aminoisobutyric Acid (2-Methylalanine), Acetic Acid, (Z)-5-Ethylidene-2- norbornene, Mesityl Oxide (4-Methyl-3-pentene-2-one), 4-M,
J. Chem. Eng. Data, 1997, 42, 1053-66. [all data]
Steele, Chirico, et al., 1997, 3
Steele, W.V.; Chirico, R.D.; Cowell, A.B.; Knipmeyer, S.E.; Nguyen, A.,
Thermodynamic Properties and Ideal-Gas Enthalpies of Formation for 2-Aminoisobutyric Acid (2-Methylalanine), Acetic Acid, ( Z )-5-Ethylidene-2-norbornene, Mesityl Oxide (4-Methyl-3-penten-2-one), 4-Methylpent-1-ene, 2,2'-Bis(phenylthio)propane, and Glycidyl Phenyl Ether (1,2-Epoxy-3-phenoxypropane),
J. Chem. Eng. Data, 1997, 42, 6, 1053-1066, https://doi.org/10.1021/je970099y
. [all data]
Reid, 1972
Reid, Robert C.,
Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00,
AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637
. [all data]
Camin and Rossini, 1956
Camin, D.L.; Rossini, F.D.,
Physical properties of the 17 isomeric hexenes of the API research series,
J. Phys. Chem., 1956, 60, 1446. [all data]
Pennington, Scott, et al., 1956
Pennington, R.E.; Scott, D.W.; Finke, H.L.; McCullough, J.P.; Messerly, J.F.; Hossenlopp, I.A.; Waddington, G.,
The chemical thermodynamic properties and rotational tautomerism of 1-propanethiol,
J. Am. Chem. Soc., 1956, 78, 3266-3272. [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]
Lebedev, Smirnova, et al., 1994
Lebedev, B.V.; Smirnova, N.N.; Vasil'ev, V.G.; Kiparisova, E.G.; Kleiner, V.I.,
Thermodynamic characteristics of 4-methylpentene-1, poly(4-methylpentene-1), and 4-methylpentene-1 polymerization,
Vysokomol. Soed. A, 1994, 36, 9, 1413. [all data]
Bartolo and Rossini, 1960
Bartolo, H.F.; Rossini, F.D.,
Heats of isomerization of the seventeen isomeric hexenes,
J. Phys. Chem., 1960, 64, 1685-1689. [all data]
Rogers, Crooks, et al., 1987
Rogers, D.W.; Crooks, E.; Dejroongruang, K.,
Enthalpies of hydrogenation of the hexenes,
J. Chem. Thermodyn., 1987, 19, 1209-1215. [all data]
Yursha and Kabo, 1976
Yursha, I.A.; Kabo, G.Ya.,
Equilibrium isomerisation and thermodynamic properties of 2-methylpentenes,
Russ. J. Phys. Chem. (Engl. Transl.), 1976, 50, 330, In original 558. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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 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 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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