- InChI
- InChI=1S/C10H16O/c1-8-4-5-9(7-11)10(2,3)6-8/h6-7,9H,4-5H2,1-3H3
- InChI Key
- FDSNFOIVNIUNDP-UHFFFAOYSA-N
- Formula
- C10H16O
- SMILES
- CC1=CC(C)(C)C(C=O)CC1
- Molecular Weight1
- 152.23
- CAS
- 127128-60-3
- Other Names
-
- 2,2,4-Trimethyl-3-cyclohexene-1-carboxaldehyde
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3158 | Relay (... Calculated Property | |
| ΔfG° | -34.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -163.40 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 11.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.55 | kJ/mol | Relay (... Calculated Property |
| IE | 8.85 | eV | Relay (... Calculated Property |
| log10WS | -2.37 | Relay (... Calculated Property | |
| logPoct/wat | 2.568 | Crippen Calculated Property | |
| McVol | 138.170 | ml/mol | McGowan Calculated Property |
| Pc | 2871.95 | kPa | Joback Calculated Property |
| Inp | [1138.00; 1138.00] |
|
|
| Inp | 1138.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Tboil | 472.89 | K | Relay (... Calculated Property |
| Tc | 687.75 | K | Relay (... Calculated Property |
| Tfus | 251.58 | K | Relay (... Calculated Property |
| Vc | 0.463 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [313.56; 400.37] | J/mol×K | [496.12; 709.88] |
|
| Cp,gas | 313.56 | J/mol×K | 496.12 | Joback Calculated Property |
| Cp,gas | 330.31 | J/mol×K | 531.75 | Joback Calculated Property |
| Cp,gas | 346.01 | J/mol×K | 567.37 | Joback Calculated Property |
| Cp,gas | 360.76 | J/mol×K | 603.00 | Joback Calculated Property |
| Cp,gas | 374.68 | J/mol×K | 638.62 | Joback Calculated Property |
| Cp,gas | 387.85 | J/mol×K | 674.25 | Joback Calculated Property |
| Cp,gas | 400.37 | J/mol×K | 709.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,3-Trimethylcyclohex-1-ene-4-carboxaldehyde, (+,-)-.
Sources
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