- InChI
- InChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5-7,10-11H,1H2,2-4H3/b9-7+
- InChI Key
- DUCHBDMNWUYHGL-VQHVLOKHSA-N
- Formula
- C10H16O
- SMILES
- C=CC(C)=CC(O)C=C(C)C
- Molecular Weight1
- 152.23
- 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.
- 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° | 125.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -66.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.55 | kJ/mol | Joback Calculated Property |
| log10WS | -2.94 | Crippen Calculated Property | |
| logPoct/wat | 2.446 | Crippen Calculated Property | |
| McVol | 144.730 | ml/mol | McGowan Calculated Property |
| Pc | 2707.03 | kPa | Joback Calculated Property |
| Inp | [1132.00; 1132.00] |
|
|
| Inp | 1132.00 | NIST | |
| Inp | 1132.00 | NIST | |
| I | 1685.00 | NIST | |
| Tboil | 524.70 | K | Joback Calculated Property |
| Tc | 708.61 | K | Joback Calculated Property |
| Tfus | 208.44 | K | Joback Calculated Property |
| Vc | 0.551 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [325.95; 391.71] | J/mol×K | [524.70; 708.61] |
|
| Cp,gas | 325.95 | J/mol×K | 524.70 | Joback Calculated Property |
| Cp,gas | 338.47 | J/mol×K | 555.35 | Joback Calculated Property |
| Cp,gas | 350.31 | J/mol×K | 586.00 | Joback Calculated Property |
| Cp,gas | 361.52 | J/mol×K | 616.65 | Joback Calculated Property |
| Cp,gas | 372.13 | J/mol×K | 647.31 | Joback Calculated Property |
| Cp,gas | 382.18 | J/mol×K | 677.96 | Joback Calculated Property |
| Cp,gas | 391.71 | J/mol×K | 708.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-Ocimenol.
Sources
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