- InChI
- InChI=1S/C7H12/c1-4-6-7(3)5-2/h4-6H,1-3H3/b6-4+,7-5+
- InChI Key
- KOXWOWPVSGRFCZ-YDFGWWAZSA-N
- Formula
- C7H12
- SMILES
- CC=CC(C)=CC
- Molecular Weight1
- 96.17
- CAS
- 28823-42-9
- Other Names
-
- 3-Methyl-2,4-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° | 159.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 36.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.17 | 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 | 3152.62 | kPa | Joback Calculated Property |
| Tboil | 381.00 ± 3.00 | K | NIST |
| Tc | 553.14 | K | Joback Calculated Property |
| Tfus | 144.53 | K | Joback Calculated Property |
| Vc | 0.389 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.25; 227.85] | J/mol×K | [367.76; 553.14] | 
|
| Cp,gas | 166.25 | J/mol×K | 367.76 | Joback Calculated Property |
| Cp,gas | 177.97 | J/mol×K | 398.66 | Joback Calculated Property |
| Cp,gas | 189.07 | J/mol×K | 429.55 | Joback Calculated Property |
| Cp,gas | 199.58 | J/mol×K | 460.45 | Joback Calculated Property |
| Cp,gas | 209.52 | J/mol×K | 491.34 | Joback Calculated Property |
| Cp,gas | 218.94 | J/mol×K | 522.24 | Joback Calculated Property |
| Cp,gas | 227.85 | J/mol×K | 553.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Hexadiene, 3-methyl-.
Sources
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