- InChI
- InChI=1S/C9H16/c1-4-5-6-7-8-9(2)3/h5,7,9H,4,8H2,1-3H3
- InChI Key
- GOFRIZQMGVLGIN-UHFFFAOYSA-N
- Formula
- C9H16
- SMILES
- CCC=C=CCC(C)C
- Molecular Weight1
- 124.22
- CAS
- 37050-05-8
- 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).
- 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° | 230.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 45.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.63 | kJ/mol | Joback Calculated Property |
| log10WS | -3.08 | Crippen Calculated Property | |
| logPoct/wat | 3.154 | Crippen Calculated Property | |
| McVol | 129.070 | ml/mol | McGowan Calculated Property |
| Pc | 2684.64 | kPa | Joback Calculated Property |
| Tboil | 412.31 | K | Joback Calculated Property |
| Tc | 598.48 | K | Joback Calculated Property |
| Tfus | 177.62 | K | Joback Calculated Property |
| Vc | 0.493 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [247.91; 321.43] | J/mol×K | [412.31; 598.48] | 
|
| Cp,gas | 247.91 | J/mol×K | 412.31 | Joback Calculated Property |
| Cp,gas | 261.51 | J/mol×K | 443.34 | Joback Calculated Property |
| Cp,gas | 274.56 | J/mol×K | 474.37 | Joback Calculated Property |
| Cp,gas | 287.05 | J/mol×K | 505.40 | Joback Calculated Property |
| Cp,gas | 299.02 | J/mol×K | 536.42 | Joback Calculated Property |
| Cp,gas | 310.48 | J/mol×K | 567.45 | Joback Calculated Property |
| Cp,gas | 321.43 | J/mol×K | 598.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Octadiene, 7-methyl-.
Sources
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