- InChI
- InChI=1S/C8H12/c1-5-7-8(3,4)6-2/h6-7H,1-2H2,3-4H3
- InChI Key
- TVHRYPGHCFZCEZ-UHFFFAOYSA-N
- Formula
- C8H12
- SMILES
- C=C=CC(C)(C)C=C
- Molecular Weight1
- 108.18
- CAS
- 57342-48-0
- 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° | 323.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 196.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.20 | kJ/mol | Joback Calculated Property |
| log10WS | -2.51 | Crippen Calculated Property | |
| logPoct/wat | 2.540 | Crippen Calculated Property | |
| McVol | 110.680 | ml/mol | McGowan Calculated Property |
| Pc | 3117.52 | kPa | Joback Calculated Property |
| Tboil | 375.84 | K | Joback Calculated Property |
| Tc | 569.87 | K | Joback Calculated Property |
| Tfus | 185.33 | K | Joback Calculated Property |
| Vc | 0.414 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [196.09; 261.77] | J/mol×K | [375.84; 569.87] | 
|
| Cp,gas | 196.09 | J/mol×K | 375.84 | Joback Calculated Property |
| Cp,gas | 208.60 | J/mol×K | 408.18 | Joback Calculated Property |
| Cp,gas | 220.45 | J/mol×K | 440.52 | Joback Calculated Property |
| Cp,gas | 231.67 | J/mol×K | 472.86 | Joback Calculated Property |
| Cp,gas | 242.28 | J/mol×K | 505.20 | Joback Calculated Property |
| Cp,gas | 252.30 | J/mol×K | 537.53 | Joback Calculated Property |
| Cp,gas | 261.77 | J/mol×K | 569.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Dimethyl-1,3,5-hexatriene.
Sources
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