- InChI
- InChI=1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3/b6-4+
- InChI Key
- BEQGRRJLJLVQAQ-GQCTYLIASA-N
- Formula
- C6H12
- SMILES
- C/C=C(\C)CC
- Molecular Weight1
- 84.16
- CAS
- 616-12-6
- Other Names
-
- (E)-3-methyl-2-pentene
- (E)-3-methylpent-2-ene
- (E)-CH3CH=C(CH3)C2H5
- 3-methyl-trans-2-pentene
- trans-3-methyl-2-pentene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- Δc,grossH : Heat of Combustion, Gross form (kJ/mol).
- Δc,netH : Heat of Combustion, Net Form (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | [0.2070; 0.2072] |
|
|
| ω | 0.2072 | Passut and Danner (1973), critical constants and acentric factors Compiled value | |
| ω | 0.2070 | KDB | |
| ΔfG° | 71.34 | kJ/mol | KDB |
| Δc,grossH | 3981.54 | kJ/mol | KDB |
| Δc,netH | 3717.442 | kJ/mol | KDB |
| ΔfH°gas | [-63.51; -63.14] | kJ/mol |
|
| ΔfH°gas | -63.14 | kJ/mol | KDB |
| ΔfH°gas | -63.51 ± 0.88 | kJ/mol | NIST |
| ΔfH°liquid | -94.93 ± 0.84 | kJ/mol | NIST |
| ΔfusH° | 10.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [30.00; 32.10] | kJ/mol |
|
| ΔvapH° | 32.10 | kJ/mol | NIST |
| ΔvapH° | 31.30 | kJ/mol | NIST |
| ΔvapH° | 30.00 | kJ/mol | NIST |
| ΔvapH° | 31.30 | kJ/mol | NIST |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.363 | Crippen Calculated Property | |
| McVol | 91.100 | ml/mol | McGowan Calculated Property |
| Pc | [3290.00; 3292.94] | kPa |
|
| Pc | 3292.94 | kPa | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Pc | 3290.00 | kPa | KDB |
| Inp | [597.00; 627.00] |
|
|
| Inp | 620.20 | NIST | |
| Inp | 612.20 | NIST | |
| Inp | 620.00 | NIST | |
| Inp | 620.00 | NIST | |
| Inp | 620.60 | NIST | |
| Inp | 620.90 | NIST | |
| Inp | 613.10 | NIST | |
| Inp | 613.30 | NIST | |
| Inp | 620.00 | NIST | |
| Inp | 620.00 | NIST | |
| Inp | 619.00 | NIST | |
| Inp | 620.00 | NIST | |
| Inp | 619.00 | NIST | |
| Inp | 620.00 | NIST | |
| Inp | 620.00 | NIST | |
| Inp | 620.00 | NIST | |
| Inp | 625.00 | NIST | |
| Inp | 625.00 | NIST | |
| Inp | 625.00 | NIST | |
| Inp | 625.00 | NIST | |
| Inp | 625.00 | NIST | |
| Inp | 625.00 | NIST | |
| Inp | 620.00 | NIST | |
| Inp | 620.80 | NIST | |
| Inp | 621.00 | NIST | |
| Inp | 621.20 | NIST | |
| Inp | 621.50 | NIST | |
| Inp | 621.70 | NIST | |
| Inp | 622.00 | NIST | |
| Inp | 622.50 | NIST | |
| Inp | 622.00 | NIST | |
| Inp | 621.20 | NIST | |
| Inp | 620.40 | NIST | |
| Inp | 619.60 | NIST | |
| Inp | 619.00 | NIST | |
| Inp | 623.00 | NIST | |
| Inp | 612.30 | NIST | |
| Inp | 612.80 | NIST | |
| Inp | 612.46 | NIST | |
| Inp | 613.00 | NIST | |
| Inp | 610.50 | NIST | |
| Inp | 613.00 | NIST | |
| Inp | 613.00 | NIST | |
| Inp | 612.00 | NIST | |
| Inp | 613.00 | NIST | |
| Inp | 613.00 | NIST | |
| Inp | 614.00 | NIST | |
| Inp | 614.00 | NIST | |
| Inp | Outlier 603.00 | NIST | |
| Inp | 612.00 | NIST | |
| Inp | Outlier 597.00 | NIST | |
| Inp | 622.20 | NIST | |
| Inp | 622.00 | NIST | |
| Inp | 620.80 | NIST | |
| Inp | 615.32 | NIST | |
| Inp | 615.42 | NIST | |
| Inp | 615.00 | NIST | |
| Inp | 620.00 | NIST | |
| Inp | 619.20 | NIST | |
| Inp | 619.70 | NIST | |
| Inp | Outlier 603.75 | NIST | |
| Inp | 612.50 | NIST | |
| Inp | 611.00 | NIST | |
| Inp | Outlier 603.00 | NIST | |
| Inp | 608.00 | NIST | |
| Inp | 612.00 | NIST | |
| Inp | 617.00 | NIST | |
| Inp | 618.00 | NIST | |
| Inp | 617.00 | NIST | |
| Inp | 608.00 | NIST | |
| Inp | 620.00 | NIST | |
| Inp | 613.00 | NIST | |
| Inp | 618.00 | NIST | |
| Inp | 618.00 | NIST | |
| Inp | 620.00 | NIST | |
| Inp | 620.00 | NIST | |
| Inp | 623.00 | NIST | |
| Inp | 624.00 | NIST | |
| Inp | 613.00 | NIST | |
| Inp | 627.00 | NIST | |
| Inp | 619.00 | NIST | |
| Inp | 622.20 | NIST | |
| Inp | 612.50 | NIST | |
| Ip | [650.00; 662.00] |
|
|
| Ip | 662.00 | NIST | |
| Ip | 650.00 | NIST | |
| Tboil | [340.15; 343.79] | K |
|
| Tboil | 343.60 | K | KDB |
| Tboil | 343.60 | K | NIST |
| Tboil | 343.59 ± 0.10 | K | NIST |
| Tboil | 343.50 ± 0.50 | K | NIST |
| Tboil | 343.75 ± 0.50 | K | NIST |
| Tboil | 343.59 ± 0.30 | K | NIST |
| Tboil | 343.79 ± 0.50 | K | NIST |
| Tboil | 343.65 ± 0.50 | K | NIST |
| Tboil | 343.65 ± 0.20 | K | NIST |
| Tboil | Outlier 340.15 ± 2.00 | K | NIST |
| Tboil | 343.20 ± 1.00 | K | NIST |
| Tboil | 341.05 ± 1.50 | K | NIST |
| Tc | [521.00; 521.48] | K |
|
| Tc | 521.48 | K | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Tc | 521.00 | K | KDB |
| Tfus | [134.65; 134.70] | K |
|
| Tfus | 134.70 | K | KDB |
| Tfus | 134.69 ± 0.50 | K | NIST |
| Tfus | 134.65 ± 0.20 | K | NIST |
| Vc | 0.350 | m3/kmol | KDB |
| Zc | 0.2658210 | KDB |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [29.29; 32.80] | kJ/mol | [314.50; 343.60] |
|
| ΔvapH | 32.80 | kJ/mol | 314.50 | NIST |
| ΔvapH | 29.29 | kJ/mol | 343.60 | KDB |
| n0 | 1.40166 | 298.15 | KDB | |
| ρl | 698.00 | kg/m3 | 293.00 | KDB |
| γ | 0.02 | N/m | 298.20 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [118.91; 298.02] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.64390e+01 | |||
| Coefficient B | 5.93760e-01 | |||
| Coefficient C | -3.88700e-04 | |||
| Coefficient D | 1.09400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 118.91 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 149.81 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 177.16 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 201.29 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 222.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 241.31 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 257.88 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 272.63 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 285.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 298.02 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [249.84; 367.32] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.39511e+01 | |||
| Coefficient B | -2.76043e+03 | |||
| Coefficient C | -4.78120e+01 | |||
| Temperature range, min. | 249.84 | |||
| Temperature range, max. | 367.32 | |||
| Pvap | 1.33 | kPa | 249.84 | Calculated Property |
| Pvap | 3.05 | kPa | 262.89 | Calculated Property |
| Pvap | 6.37 | kPa | 275.95 | Calculated Property |
| Pvap | 12.26 | kPa | 289.00 | Calculated Property |
| Pvap | 22.06 | kPa | 302.05 | Calculated Property |
| Pvap | 37.48 | kPa | 315.11 | Calculated Property |
| Pvap | 60.62 | kPa | 328.16 | Calculated Property |
| Pvap | 93.95 | kPa | 341.21 | Calculated Property |
| Pvap | 140.26 | kPa | 354.27 | Calculated Property |
| Pvap | 202.65 | kPa | 367.32 | Calculated Property |
| Pvap | [1.32; 3330.12] | kPa | [250.00; 521.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.10543e+02 | |||
| Coefficient B | -7.59988e+03 | |||
| Coefficient C | -1.46143e+01 | |||
| Coefficient D | 1.31810e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 250.00 | |||
| Temperature range, max. | 521.00 | |||
| Pvap | 1.32 | kPa | 250.00 | Calculated Property |
| Pvap | 8.10 | kPa | 280.11 | Calculated Property |
| Pvap | 32.05 | kPa | 310.22 | Calculated Property |
| Pvap | 93.61 | kPa | 340.33 | Calculated Property |
| Pvap | 220.83 | kPa | 370.44 | Calculated Property |
| Pvap | 447.44 | kPa | 400.56 | Calculated Property |
| Pvap | 813.01 | kPa | 430.67 | Calculated Property |
| Pvap | 1366.60 | kPa | 460.78 | Calculated Property |
| Pvap | 2174.16 | kPa | 490.89 | Calculated Property |
| Pvap | 3330.12 | kPa | 521.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentene, 3-methyl-, (E)-.
Sources
- KDB Vapor Pressure Data
- Passut and Danner (1973), critical constants and acentric factors ChEDL chemicals 1.5.2, from Passut, C. A.; Danner, R. P. Acentric Factor. A Valuable Correlating Parameter for the Properties of Hydrocarbons. Ind. Eng. Chem. Process Des. Dev. 1973, 12, 365-368.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Measurements of activity coefficients at infinite dilution for organic solutes in two quaternary ammonium-based ionic liquids [DDA][ClO4] and [DDA][BF4]
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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