- InChI
- InChI=1S/C7H12/c1-5-7(4)6(2)3/h5,7H,1-2H2,3-4H3
- InChI Key
- SOKHGJZTJQMHEW-UHFFFAOYSA-N
- Formula
- C7H12
- SMILES
- C=CC(C)C(=C)C
- Molecular Weight1
- 96.17
- CAS
- 758-86-1
- 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).
- I : 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 |
|---|---|---|---|
| ω | 0.2068 | Relay (1.0) Calculated Property | |
| ΔfG° | 172.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 13.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.385 | Crippen Calculated Property | |
| McVol | 100.890 | ml/mol | McGowan Calculated Property |
| Pc | 3110.57 | kPa | Joback Calculated Property |
| I | 1518.00 | NIST | |
| Tboil | 354.92 | K | Relay (1.0) Calculated Property |
| Tc | 510.19 | K | Relay (1.0) Calculated Property |
| Tfus | 150.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.365 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.83; 227.10] | J/mol×K | [352.36; 530.54] | 
|
| Cp,gas | 166.83 | J/mol×K | 352.36 | Joback Calculated Property |
| Cp,gas | 178.07 | J/mol×K | 382.06 | Joback Calculated Property |
| Cp,gas | 188.81 | J/mol×K | 411.75 | Joback Calculated Property |
| Cp,gas | 199.07 | J/mol×K | 441.45 | Joback Calculated Property |
| Cp,gas | 208.86 | J/mol×K | 471.14 | Joback Calculated Property |
| Cp,gas | 218.20 | J/mol×K | 500.84 | Joback Calculated Property |
| Cp,gas | 227.10 | J/mol×K | 530.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dimethyl-1,4-pentadiene.
Sources
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