- InChI
- InChI=1S/C7H12/c1-4-6-7(3)5-2/h4-5H,1,6H2,2-3H3/b7-5+
- InChI Key
- JBVMSEMQJGGOFR-FNORWQNLSA-N
- Formula
- C7H12
- SMILES
- C=CCC(C)=CC
- Molecular Weight1
- 96.17
- CAS
- 1116-90-1
- Other Names
-
- 4-Methyl-1,4-hexadiene
- cis-4-Methyl-1,4-hexadiene
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.2073 | Relay (... Calculated Property | |
| ΔfG° | 167.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 31.78 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 11.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.79 | kJ/mol | Relay (... Calculated Property |
| IE | 8.53 | eV | Relay (... Calculated Property |
| log10WS | -3.11 | Relay (... Calculated Property | |
| logPoct/wat | 2.529 | Crippen Calculated Property | |
| McVol | 100.890 | ml/mol | McGowan Calculated Property |
| Pc | 3117.52 | kPa | Joback Calculated Property |
| Tboil | 365.09 | K | Relay (... Calculated Property |
| Tc | 528.03 | K | Relay (... Calculated Property |
| Tfus | 145.80 | K | Relay (... Calculated Property |
| Vc | 0.356 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.59; 226.70] | J/mol×K | [360.28; 539.87] | 
|
| Cp,gas | 166.59 | J/mol×K | 360.28 | Joback Calculated Property |
| Cp,gas | 177.90 | J/mol×K | 390.21 | Joback Calculated Property |
| Cp,gas | 188.66 | J/mol×K | 420.14 | Joback Calculated Property |
| Cp,gas | 198.89 | J/mol×K | 450.07 | Joback Calculated Property |
| Cp,gas | 208.63 | J/mol×K | 480.01 | Joback Calculated Property |
| Cp,gas | 217.89 | J/mol×K | 509.94 | Joback Calculated Property |
| Cp,gas | 226.70 | J/mol×K | 539.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Hexadiene, 4-methyl-.
Sources
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