- InChI
- InChI=1S/C7H12/c1-6(2)5-7(3)4/h1,3,5H2,2,4H3
- InChI Key
- ANKJYUSZUBOYDV-UHFFFAOYSA-N
- Formula
- C7H12
- SMILES
- C=C(C)CC(=C)C
- Molecular Weight1
- 96.17
- CAS
- 4161-65-3
- 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° | 166.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 43.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 30.00 | kJ/mol | Joback Calculated Property |
| log10WS | -2.46 | Crippen Calculated Property | |
| logPoct/wat | 2.529 | Crippen Calculated Property | |
| McVol | 100.890 | ml/mol | McGowan Calculated Property |
| Pc | 3100.18 | kPa | Joback Calculated Property |
| Inp | 780.00 | NIST | |
| Tboil | 352.68 | K | Joback Calculated Property |
| Tc | 530.21 | K | Joback Calculated Property |
| Tfus | 137.21 | K | Joback Calculated Property |
| Vc | 0.392 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [167.04; 226.41] | J/mol×K | [352.68; 530.21] | 
|
| Cp,gas | 167.04 | J/mol×K | 352.68 | Joback Calculated Property |
| Cp,gas | 178.11 | J/mol×K | 382.27 | Joback Calculated Property |
| Cp,gas | 188.68 | J/mol×K | 411.86 | Joback Calculated Property |
| Cp,gas | 198.78 | J/mol×K | 441.44 | Joback Calculated Property |
| Cp,gas | 208.43 | J/mol×K | 471.03 | Joback Calculated Property |
| Cp,gas | 217.63 | J/mol×K | 500.62 | Joback Calculated Property |
| Cp,gas | 226.41 | J/mol×K | 530.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dimethyl 1,4-pentadiene.
Sources
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