- InChI
- InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4,6-7H,5H2,1-3H3
- InChI Key
- AXVHXJQWKAFHQW-UHFFFAOYSA-N
- Formula
- C10H14O
- SMILES
- CC1=C(C=O)C(C)(C)C=CC1
- Molecular Weight1
- 150.22
- CAS
- 162376-82-1
- 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).
- Inp : Non-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° | -6.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -173.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.76 | kJ/mol | Joback Calculated Property |
| log10WS | -2.65 | Crippen Calculated Property | |
| logPoct/wat | 2.488 | Crippen Calculated Property | |
| McVol | 133.870 | ml/mol | McGowan Calculated Property |
| Pc | 3045.68 | kPa | Joback Calculated Property |
| Inp | 1108.70 | NIST | |
| Tboil | 504.93 | K | Joback Calculated Property |
| Tc | 722.27 | K | Joback Calculated Property |
| Tfus | 302.30 | K | Joback Calculated Property |
| Vc | 0.515 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [296.18; 371.98] | J/mol×K | [504.93; 722.27] | 
|
| Cp,gas | 296.18 | J/mol×K | 504.93 | Joback Calculated Property |
| Cp,gas | 310.85 | J/mol×K | 541.15 | Joback Calculated Property |
| Cp,gas | 324.56 | J/mol×K | 577.38 | Joback Calculated Property |
| Cp,gas | 337.42 | J/mol×K | 613.60 | Joback Calculated Property |
| Cp,gas | 349.54 | J/mol×K | 649.82 | Joback Calculated Property |
| Cp,gas | 361.03 | J/mol×K | 686.05 | Joback Calculated Property |
| Cp,gas | 371.98 | J/mol×K | 722.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6,6-Trimethylcyclohexa-1,4-dienecarbaldehyde.
Sources
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