- InChI
- InChI=1S/C7H14/c1-4-6-7(3)5-2/h5H,4,6H2,1-3H3/b7-5+
- InChI Key
- JZMUUSXQSKCZNO-FNORWQNLSA-N
- Formula
- C7H14
- SMILES
- CC=C(C)CCC
- Molecular Weight1
- 98.19
- CAS
- 20710-38-7
- Other Names
-
- E-3-methyl-2-hexene
- 2-Hexene, 3-methyl-, (E)-
- trans-3-Methyl-2-hexene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2653 | Relay (1.0) Calculated Property | |
| ΔfG° | 79.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -100.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.60 | kJ/mol | NIST |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.753 | Crippen Calculated Property | |
| McVol | 105.190 | ml/mol | McGowan Calculated Property |
| Pc | 2976.29 | kPa | Joback Calculated Property |
| Inp | [693.00; 716.00] |
|
|
| Inp | 709.20 | NIST | |
| Inp | 699.50 | NIST | |
| Inp | 709.00 | NIST | |
| Inp | 709.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 701.60 | NIST | |
| Inp | 702.00 | NIST | |
| Inp | 704.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 693.00 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | 695.00 | NIST | |
| Inp | 695.00 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | 707.00 | NIST | |
| Inp | 709.50 | NIST | |
| Inp | 710.90 | NIST | |
| Inp | 699.90 | NIST | |
| Inp | 716.00 | NIST | |
| Inp | 703.00 | NIST | |
| Inp | 709.00 | NIST | |
| Inp | 710.00 | NIST | |
| Inp | 709.00 | NIST | |
| Inp | 709.00 | NIST | |
| Inp | 710.00 | NIST | |
| Inp | 712.00 | NIST | |
| Inp | 712.00 | NIST | |
| Inp | 709.00 | NIST | |
| Inp | 709.20 | NIST | |
| Inp | 701.60 | NIST | |
| Inp | 694.00 | NIST | |
| Ip | [739.00; 750.00] |
|
|
| Ip | 750.00 | NIST | |
| Ip | 739.00 | NIST | |
| Ip | 750.00 | NIST | |
| Tboil | [365.15; 368.39] | K |
|
| Tboil | 368.38 ± 0.20 | K | NIST |
| Tboil | 368.39 ± 0.30 | K | NIST |
| Tboil | 365.15 ± 3.00 | K | NIST |
| Tc | 540.67 | K | Relay (1.0) Calculated Property |
| Tfus | 155.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.398 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 34.10 | kJ/mol | 357.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [140.13; 349.61] | 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 | -1.73480e+01 | |||
| Coefficient B | 6.88760e-01 | |||
| Coefficient C | -4.43100e-04 | |||
| Coefficient D | 1.21300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 140.13 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 176.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 208.24 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 236.52 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 261.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 283.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 302.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 320.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 335.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 349.61 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to (E)-2-Hexene, 3-methyl.
Sources
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