- InChI
- InChI=1S/C10H14O/c1-5-9(4)7-10(11)6-8(2)3/h5-7H,1H2,2-4H3/b9-7-
- InChI Key
- XUINKEIPBTYUJP-CLFYSBASSA-N
- Formula
- C10H14O
- SMILES
- C=CC(C)=CC(=O)C=C(C)C
- Molecular Weight1
- 150.22
- 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° | 135.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -22.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.01 | kJ/mol | Joback Calculated Property |
| log10WS | -2.85 | Crippen Calculated Property | |
| logPoct/wat | 2.654 | Crippen Calculated Property | |
| McVol | 140.430 | ml/mol | McGowan Calculated Property |
| Pc | 2605.74 | kPa | Joback Calculated Property |
| Inp | 1230.00 | NIST | |
| Tboil | 486.83 | K | Joback Calculated Property |
| Tc | 686.94 | K | Joback Calculated Property |
| Tfus | 212.55 | K | Joback Calculated Property |
| Vc | 0.544 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.46; 360.87] | J/mol×K | [486.83; 686.94] | 
|
| Cp,gas | 290.46 | J/mol×K | 486.83 | Joback Calculated Property |
| Cp,gas | 304.04 | J/mol×K | 520.18 | Joback Calculated Property |
| Cp,gas | 316.83 | J/mol×K | 553.53 | Joback Calculated Property |
| Cp,gas | 328.85 | J/mol×K | 586.88 | Joback Calculated Property |
| Cp,gas | 340.17 | J/mol×K | 620.23 | Joback Calculated Property |
| Cp,gas | 350.82 | J/mol×K | 653.59 | Joback Calculated Property |
| Cp,gas | 360.87 | J/mol×K | 686.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ocimenone.
Sources
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