- InChI
- InChI=1S/C15H24O/c1-11(10-16)9-13-6-8-15(3)7-4-5-12(2)14(13)15/h9,13-14,16H,2,4-8,10H2,1,3H3/b11-9+/t13-,14?,15-/m1/s1
- InChI Key
- AYGVQNVSBUDGKN-BJRRHPIXSA-N
- Formula
- C15H24O
- SMILES
- C=C1CCCC2(C)CCC(C=C(C)CO)C12
- Molecular Weight1
- 220.35
- 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.
- 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 |
|---|---|---|---|
| ω | 0.5494 | Relay (1.0) Calculated Property | |
| ΔfG° | 135.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -241.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.698 | Crippen Calculated Property | |
| McVol | 197.760 | ml/mol | McGowan Calculated Property |
| Pc | 2177.49 | kPa | Joback Calculated Property |
| Inp | [1677.00; 1687.00] |
|
|
| Inp | 1687.00 | NIST | |
| Inp | 1677.00 | NIST | |
| I | 2428.00 | NIST | |
| Tboil | 578.71 | K | Relay (1.0) Calculated Property |
| Tc | 798.85 | K | Relay (1.0) Calculated Property |
| Tfus | 310.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.646 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [570.29; 669.28] | J/mol×K | [659.84; 865.08] |
|
| Cp,gas | 570.29 | J/mol×K | 659.84 | Joback Calculated Property |
| Cp,gas | 588.64 | J/mol×K | 694.05 | Joback Calculated Property |
| Cp,gas | 606.07 | J/mol×K | 728.25 | Joback Calculated Property |
| Cp,gas | 622.71 | J/mol×K | 762.46 | Joback Calculated Property |
| Cp,gas | 638.70 | J/mol×K | 796.67 | Joback Calculated Property |
| Cp,gas | 654.18 | J/mol×K | 830.87 | Joback Calculated Property |
| Cp,gas | 669.28 | J/mol×K | 865.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-Opposita-4(15),7(11)-dien-12-ol.
Sources
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