- InChI
- InChI=1S/C10H14O2/c1-7-3-4-9(5-10(7)12)8(2)6-11/h3,9,11H,2,4-6H2,1H3
- InChI Key
- SPYNQWDBZDOAGZ-UHFFFAOYSA-N
- Formula
- C10H14O2
- SMILES
- C=C(CO)C1CC=C(C)C(=O)C1
- Molecular Weight1
- 166.22
- 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° | -102.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -323.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.57 | kJ/mol | Joback Calculated Property |
| log10WS | -1.91 | Crippen Calculated Property | |
| logPoct/wat | 1.460 | Crippen Calculated Property | |
| McVol | 139.740 | ml/mol | McGowan Calculated Property |
| Pc | 3163.27 | kPa | Joback Calculated Property |
| Inp | [1386.00; 1397.00] |
|
|
| Inp | 1397.00 | NIST | |
| Inp | 1386.00 | NIST | |
| Inp | 1386.00 | NIST | |
| Tboil | 608.45 | K | Joback Calculated Property |
| Tc | 817.50 | K | Joback Calculated Property |
| Tfus | 336.44 | K | Joback Calculated Property |
| Vc | 0.522 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [359.30; 432.60] | J/mol×K | [608.45; 817.50] |
|
| Cp,gas | 359.30 | J/mol×K | 608.45 | Joback Calculated Property |
| Cp,gas | 373.38 | J/mol×K | 643.29 | Joback Calculated Property |
| Cp,gas | 386.71 | J/mol×K | 678.13 | Joback Calculated Property |
| Cp,gas | 399.29 | J/mol×K | 712.97 | Joback Calculated Property |
| Cp,gas | 411.13 | J/mol×K | 747.81 | Joback Calculated Property |
| Cp,gas | 422.23 | J/mol×K | 782.66 | Joback Calculated Property |
| Cp,gas | 432.60 | J/mol×K | 817.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9-Hydroxycarvone.
Sources
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