- InChI
- InChI=1S/C9H14/c1-8-5-4-6-9(2,3)7-8/h4-5,7H,6H2,1-3H3
- InChI Key
- HIPJINRMIDCBDO-UHFFFAOYSA-N
- Formula
- C9H14
- SMILES
- CC1=CC(C)(C)CC=C1
- Molecular Weight1
- 122.21
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 94.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -55.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.15 | kJ/mol | Joback Calculated Property |
| log10WS | -2.95 | Crippen Calculated Property | |
| logPoct/wat | 2.919 | Crippen Calculated Property | |
| McVol | 118.210 | ml/mol | McGowan Calculated Property |
| Pc | 3173.97 | kPa | Joback Calculated Property |
| I | 962.00 | NIST | |
| Tboil | 428.41 | K | Joback Calculated Property |
| Tc | 642.33 | K | Joback Calculated Property |
| Tfus | 236.51 | K | Joback Calculated Property |
| Vc | 0.443 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [230.10; 311.78] | J/mol×K | [428.41; 642.33] | 
|
| Cp,gas | 230.10 | J/mol×K | 428.41 | Joback Calculated Property |
| Cp,gas | 246.21 | J/mol×K | 464.06 | Joback Calculated Property |
| Cp,gas | 261.18 | J/mol×K | 499.72 | Joback Calculated Property |
| Cp,gas | 275.12 | J/mol×K | 535.37 | Joback Calculated Property |
| Cp,gas | 288.13 | J/mol×K | 571.03 | Joback Calculated Property |
| Cp,gas | 300.31 | J/mol×K | 606.68 | Joback Calculated Property |
| Cp,gas | 311.78 | J/mol×K | 642.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6,6-Trimethyl-1,3-cyclohexadiene.
Sources
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