- InChI
- InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9H,1,4-5H2,2-3H3
- InChI Key
- SEZLYIWMVRUIKT-UHFFFAOYSA-N
- Formula
- C10H14O
- SMILES
- C=C(C)C1CCC(C)=CC1=O
- Molecular Weight1
- 150.22
- CAS
- 529-01-1
- Other Names
-
- p-Mentha-1,8-dien-3-one
- Isopiperitenon
- Isopiperitenone
- 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.
- 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° | 34.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -171.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.89 | kJ/mol | Joback Calculated Property |
| IE | 9.53 | eV | NIST |
| log10WS | -2.65 | Crippen Calculated Property | |
| logPoct/wat | 2.488 | Crippen Calculated Property | |
| McVol | 133.870 | ml/mol | McGowan Calculated Property |
| Pc | 2859.68 | kPa | Joback Calculated Property |
| Inp | [1222.00; 1285.00] |
|
|
| Inp | 1272.00 | NIST | |
| Inp | 1266.00 | NIST | |
| Inp | 1285.00 | NIST | |
| Inp | 1272.00 | NIST | |
| Inp | 1271.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Inp | 1269.00 | NIST | |
| Inp | 1222.00 | NIST | |
| Inp | 1222.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1272.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Inp | 1285.00 | NIST | |
| I | [1832.00; 1865.00] |
|
|
| I | 1833.00 | NIST | |
| I | 1832.00 | NIST | |
| I | 1851.00 | NIST | |
| I | 1865.00 | NIST | |
| I | 1865.00 | NIST | |
| I | 1865.00 | NIST | |
| I | 1865.00 | NIST | |
| I | 1865.00 | NIST | |
| Tboil | 516.27 | K | Joback Calculated Property |
| Tc | 742.23 | K | Joback Calculated Property |
| Tfus | 275.62 | K | Joback Calculated Property |
| Vc | 0.503 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [302.34; 391.51] | J/mol×K | [516.27; 742.23] |
|
| Cp,gas | 302.34 | J/mol×K | 516.27 | Joback Calculated Property |
| Cp,gas | 319.31 | J/mol×K | 553.93 | Joback Calculated Property |
| Cp,gas | 335.43 | J/mol×K | 591.59 | Joback Calculated Property |
| Cp,gas | 350.72 | J/mol×K | 629.25 | Joback Calculated Property |
| Cp,gas | 365.16 | J/mol×K | 666.91 | Joback Calculated Property |
| Cp,gas | 378.76 | J/mol×K | 704.57 | Joback Calculated Property |
| Cp,gas | 391.51 | J/mol×K | 742.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethenyl)-.
Sources
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