- InChI
- InChI=1S/C9H12/c1-5-7-9(3,4)8-6-2/h7-8H,1-2H2,3-4H3
- InChI Key
- LAUMUDIRLSPOKG-UHFFFAOYSA-N
- Formula
- C9H12
- SMILES
- C=C=CC(C)(C)C=C=C
- Molecular Weight1
- 120.19
- CAS
- 111869-19-3
- 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 | 0.2602 | Relay (1.0) Calculated Property | |
| ΔfG° | 459.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 340.00 | kJ/mol | NIST |
| ΔfusH° | 13.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.695 | Crippen Calculated Property | |
| McVol | 120.470 | ml/mol | McGowan Calculated Property |
| Pc | 3103.64 | kPa | Joback Calculated Property |
| Tboil | 391.96 | K | Relay (1.0) Calculated Property |
| Tc | 592.01 | K | Relay (1.0) Calculated Property |
| Tfus | 204.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.419 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [224.33; 291.74] | J/mol×K | [401.99; 607.63] | 
|
| Cp,gas | 224.33 | J/mol×K | 401.99 | Joback Calculated Property |
| Cp,gas | 237.09 | J/mol×K | 436.26 | Joback Calculated Property |
| Cp,gas | 249.21 | J/mol×K | 470.54 | Joback Calculated Property |
| Cp,gas | 260.72 | J/mol×K | 504.81 | Joback Calculated Property |
| Cp,gas | 271.63 | J/mol×K | 539.08 | Joback Calculated Property |
| Cp,gas | 281.97 | J/mol×K | 573.36 | Joback Calculated Property |
| Cp,gas | 291.74 | J/mol×K | 607.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,4-Dimethyl-1,2,5,6-heptatriene.
Sources
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