- InChI
- InChI=1S/C15H26O/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h9-13,16H,5-8H2,1-4H3/t10-,11+,12-,13+,14+,15-/m1/s1
- InChI Key
- KONGRWVLXLWGDV-BYGOPZEFSA-N
- Formula
- C15H26O
- SMILES
- CC(C)C1CCC(C)C23CCC(C)(O)C2C13
- Molecular Weight1
- 222.37
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5218 | Relay (1.0) Calculated Property | |
| ΔfG° | 72.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -231.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.466 | Crippen Calculated Property | |
| McVol | 195.500 | ml/mol | McGowan Calculated Property |
| Pc | 2159.31 | kPa | Joback Calculated Property |
| Inp | [1511.00; 1514.00] |
|
|
| Inp | 1511.00 | NIST | |
| Inp | 1514.00 | NIST | |
| Tboil | 540.61 | K | Relay (1.0) Calculated Property |
| Tc | 797.81 | K | Relay (1.0) Calculated Property |
| Tfus | 323.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.687 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [596.91; 705.32] | J/mol×K | [645.30; 849.11] |
|
| Cp,gas | 596.91 | J/mol×K | 645.30 | Joback Calculated Property |
| Cp,gas | 616.48 | J/mol×K | 679.27 | Joback Calculated Property |
| Cp,gas | 635.16 | J/mol×K | 713.24 | Joback Calculated Property |
| Cp,gas | 653.15 | J/mol×K | 747.21 | Joback Calculated Property |
| Cp,gas | 670.70 | J/mol×K | 781.17 | Joback Calculated Property |
| Cp,gas | 688.01 | J/mol×K | 815.14 | Joback Calculated Property |
| Cp,gas | 705.32 | J/mol×K | 849.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-Cubebol.
Sources
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