- InChI
- InChI=1S/C7H14/c1-4-6-7(3)5-2/h5H,4,6H2,1-3H3
- InChI Key
- JZMUUSXQSKCZNO-UHFFFAOYSA-N
- Formula
- C7H14
- SMILES
- CC=C(C)CCC
- Molecular Weight1
- 98.19
- CAS
- 17618-77-8
- Other Names
-
- 2-Hexene, 3-methyl
- 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).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 79.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -80.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.21 | kJ/mol | Joback Calculated Property |
| log10WS | -2.61 | Crippen 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 | [702.00; 708.00] |
|
|
| Inp | 702.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 702.00 | NIST | |
| Tboil | [361.00; 369.40] | K |
|
| Tboil | 365.15 ± 3.00 | K | NIST |
| Tboil | 366.35 ± 2.00 | K | NIST |
| Tboil | 368.15 ± 3.00 | K | NIST |
| Tboil | 367.55 ± 2.00 | K | NIST |
| Tboil | 369.40 ± 2.00 | K | NIST |
| Tboil | 368.00 ± 6.00 | K | NIST |
| Tboil | Outlier 361.00 ± 6.00 | K | NIST |
| Tc | 539.41 | K | Joback Calculated Property |
| Tfus | 149.61 | K | Joback Calculated Property |
| Vc | 0.408 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.34; 244.29] | J/mol×K | [363.60; 539.41] |
|
| Cp,gas | 180.34 | J/mol×K | 363.60 | Joback Calculated Property |
| Cp,gas | 192.22 | J/mol×K | 392.90 | Joback Calculated Property |
| Cp,gas | 203.59 | J/mol×K | 422.20 | Joback Calculated Property |
| Cp,gas | 214.47 | J/mol×K | 451.50 | Joback Calculated Property |
| Cp,gas | 224.86 | J/mol×K | 480.80 | Joback Calculated Property |
| Cp,gas | 234.79 | J/mol×K | 510.11 | Joback Calculated Property |
| Cp,gas | 244.29 | J/mol×K | 539.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-hexene.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.