- InChI
- InChI=1S/C9H16/c1-4-5-6-7-8-9(2)3/h4H,1-2,5-8H2,3H3
- InChI Key
- GRMXFZGBPICEAU-UHFFFAOYSA-N
- Formula
- C9H16
- SMILES
- C=CCCCCC(=C)C
- Molecular Weight1
- 124.22
- Other Names
-
- 2-Methyl-1,7-octadiene
- 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° | 192.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 11.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.37 | kJ/mol | Joback Calculated Property |
| log10WS | -3.30 | Crippen Calculated Property | |
| logPoct/wat | 3.309 | Crippen Calculated Property | |
| McVol | 129.070 | ml/mol | McGowan Calculated Property |
| Pc | 2517.59 | kPa | Joback Calculated Property |
| Inp | [850.00; 857.00] |
|
|
| Inp | 850.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 850.00 | NIST | |
| Tboil | 398.56 | K | Joback Calculated Property |
| Tc | 571.52 | K | Joback Calculated Property |
| Tfus | 173.71 | K | Joback Calculated Property |
| Vc | 0.502 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.10; 313.83] | J/mol×K | [398.56; 571.52] |
|
| Cp,gas | 242.10 | J/mol×K | 398.56 | Joback Calculated Property |
| Cp,gas | 255.42 | J/mol×K | 427.39 | Joback Calculated Property |
| Cp,gas | 268.17 | J/mol×K | 456.21 | Joback Calculated Property |
| Cp,gas | 280.36 | J/mol×K | 485.04 | Joback Calculated Property |
| Cp,gas | 292.03 | J/mol×K | 513.87 | Joback Calculated Property |
| Cp,gas | 303.17 | J/mol×K | 542.69 | Joback Calculated Property |
| Cp,gas | 313.83 | J/mol×K | 571.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,7-Octadiene, 2-methyl.
Sources
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