- InChI
- InChI=1S/C7H12/c1-4-5-6-7(2)3/h5,7H,1,6H2,2-3H3
- InChI Key
- NEYLAVKYYZDLIN-UHFFFAOYSA-N
- Formula
- C7H12
- SMILES
- C=C=CCC(C)C
- Molecular Weight1
- 96.17
- CAS
- 13865-36-6
- 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° | 221.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 95.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 30.55 | kJ/mol | Joback Calculated Property |
| log10WS | -2.24 | Crippen Calculated Property | |
| logPoct/wat | 2.374 | Crippen Calculated Property | |
| McVol | 100.890 | ml/mol | McGowan Calculated Property |
| Pc | 3272.78 | kPa | Joback Calculated Property |
| Tboil | 359.07 | K | Joback Calculated Property |
| Tc | 541.60 | K | Joback Calculated Property |
| Tfus | 158.40 | K | Joback Calculated Property |
| Vc | 0.383 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [173.03; 230.63] | J/mol×K | [359.07; 541.60] | 
|
| Cp,gas | 173.03 | J/mol×K | 359.07 | Joback Calculated Property |
| Cp,gas | 183.53 | J/mol×K | 389.49 | Joback Calculated Property |
| Cp,gas | 193.66 | J/mol×K | 419.91 | Joback Calculated Property |
| Cp,gas | 203.43 | J/mol×K | 450.33 | Joback Calculated Property |
| Cp,gas | 212.84 | J/mol×K | 480.75 | Joback Calculated Property |
| Cp,gas | 221.91 | J/mol×K | 511.17 | Joback Calculated Property |
| Cp,gas | 230.63 | J/mol×K | 541.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Hexadiene, 5-methyl-.
Sources
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