- InChI
- InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h6-8H,4-5H2,1-3H3
- InChI Key
- RLYSXAZAJUMULG-UHFFFAOYSA-N
- Formula
- C10H16O
- SMILES
- CC(C)C1=CC(=O)C(C)CC1
- Molecular Weight1
- 152.23
- CAS
- 499-74-1
- Other Names
-
- 2-Cyclohexen-1-one, 6-methyl-3-(1-methylethyl)-
- p-Menth-3-en-2-one
- p-3-menthen-2-one (carvenone)
- 3-(isopropyl)-6-methylcyclohex-2-en-1-one
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -5895.70 | kJ/mol | NIST |
| ΔfH°gas | -231.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.24 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.568 | Crippen Calculated Property | |
| McVol | 138.170 | ml/mol | McGowan Calculated Property |
| Inp | [1208.00; 1277.00] |
|
|
| Inp | 1236.00 | NIST | |
| Inp | 1236.20 | NIST | |
| Inp | 1253.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | Outlier 1277.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1226.00 | NIST | |
| Inp | 1255.00 | NIST | |
| Inp | 1235.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Inp | Outlier 1208.00 | NIST | |
| Inp | 1227.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1255.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1236.00 | NIST | |
| Ip | [1710.00; 1737.00] |
|
|
| Ip | 1737.00 | NIST | |
| Ip | Outlier 1710.00 | NIST | |
| Ip | 1714.00 | NIST | |
| Ip | 1737.00 | NIST | |
| Ip | 1737.00 | NIST | |
| Ip | 1737.00 | NIST | |
| Ip | 1737.00 | NIST | |
| Ip | 1737.00 | NIST | |
| Ip | 1737.00 | NIST | |
| Tboil | 486.99 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 56.90 | kJ/mol | 435.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [181.63; 485.64] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.49800e+01 | |||
| Coefficient B | 7.98060e-01 | |||
| Coefficient C | -2.80640e-04 | |||
| Coefficient D | -1.68000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 181.63 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 231.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 277.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 319.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 357.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 391.42 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 421.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 446.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 468.43 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 485.64 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Carvenone.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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