- InChI
- InChI=1S/C15H26O2/c1-11(2)6-5-7-12(3)13-8-9-15(4,17)14(16)10-13/h10-12,17H,5-9H2,1-4H3
- InChI Key
- OXQXZFFVWPEAHX-UHFFFAOYSA-N
- Formula
- C15H26O2
- SMILES
-
CC(C)CCCC(C)C1=CC(=O)C(C)(O)CC
1 - Molecular Weight1
- 238.37
- 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° | -149.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -537.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.37 | kJ/mol | Joback Calculated Property |
| log10WS | -4.02 | Crippen Calculated Property | |
| logPoct/wat | 3.489 | Crippen Calculated Property | |
| McVol | 214.490 | ml/mol | McGowan Calculated Property |
| Pc | 1985.89 | kPa | Joback Calculated Property |
| Inp | [1752.00; 1752.00] |
|
|
| Inp | 1752.00 | NIST | |
| Inp | 1752.00 | NIST | |
| I | 2482.00 | NIST | |
| Tboil | 725.65 | K | Joback Calculated Property |
| Tc | 928.31 | K | Joback Calculated Property |
| Tfus | 402.41 | K | Joback Calculated Property |
| Vc | 0.806 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [643.27; 739.74] | J/mol×K | [725.65; 928.31] |
|
| Cp,gas | 643.27 | J/mol×K | 725.65 | Joback Calculated Property |
| Cp,gas | 660.91 | J/mol×K | 759.43 | Joback Calculated Property |
| Cp,gas | 677.82 | J/mol×K | 793.20 | Joback Calculated Property |
| Cp,gas | 694.08 | J/mol×K | 826.98 | Joback Calculated Property |
| Cp,gas | 709.76 | J/mol×K | 860.76 | Joback Calculated Property |
| Cp,gas | 724.96 | J/mol×K | 894.54 | Joback Calculated Property |
| Cp,gas | 739.74 | J/mol×K | 928.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hydroxybisabola-1(6)-dien-2-one A.
Sources
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