- InChI
- InChI=1S/C7H12/c1-4-5-6-7(2)3/h5H,4H2,1-3H3
- InChI Key
- LNCOYAGAIDDTKZ-UHFFFAOYSA-N
- Formula
- C7H12
- SMILES
- CCC=C=C(C)C
- Molecular Weight1
- 96.17
- CAS
- 29212-09-7
- Other Names
-
- 2-methyl-2,3-hexadiene
- 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° | 208.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 82.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.65 | kJ/mol | Joback Calculated Property |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 2.518 | Crippen Calculated Property | |
| McVol | 100.890 | ml/mol | McGowan Calculated Property |
| Pc | 3299.15 | kPa | Joback Calculated Property |
| Tboil | 366.87 | K | Joback Calculated Property |
| Tc | 554.61 | K | Joback Calculated Property |
| Tfus | 156.12 | K | Joback Calculated Property |
| Vc | 0.389 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [172.56; 230.98] | J/mol×K | [366.87; 554.61] | 
|
| Cp,gas | 172.56 | J/mol×K | 366.87 | Joback Calculated Property |
| Cp,gas | 183.32 | J/mol×K | 398.16 | Joback Calculated Property |
| Cp,gas | 193.66 | J/mol×K | 429.45 | Joback Calculated Property |
| Cp,gas | 203.58 | J/mol×K | 460.74 | Joback Calculated Property |
| Cp,gas | 213.10 | J/mol×K | 492.03 | Joback Calculated Property |
| Cp,gas | 222.23 | J/mol×K | 523.32 | Joback Calculated Property |
| Cp,gas | 230.98 | J/mol×K | 554.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Hexadiene, 2-methyl-.
Sources
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