- InChI
- InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h5,7,11-13,16H,6,8-10H2,1-4H3/t12-,13-,14-,15-/m0/s1
- InChI Key
- GISHVTUWQQSNBW-AJNGGQMLSA-N
- Formula
- C15H26O
- SMILES
- CC(C)C1CCC2(C)C=CCC(C)(O)C2C1
- 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).
- 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 | 0.4984 | Relay (1.0) Calculated Property | |
| ΔfG° | 12.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -336.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.776 | Crippen Calculated Property | |
| McVol | 202.060 | ml/mol | McGowan Calculated Property |
| Pc | 2187.68 | kPa | Joback Calculated Property |
| I | 2273.00 | NIST | |
| Tboil | 553.14 | K | Relay (1.0) Calculated Property |
| Tc | 769.84 | K | Relay (1.0) Calculated Property |
| Tfus | 299.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.698 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [594.29; 705.66] | J/mol×K | [655.20; 866.56] | 
|
| Cp,gas | 594.29 | J/mol×K | 655.20 | Joback Calculated Property |
| Cp,gas | 614.43 | J/mol×K | 690.43 | Joback Calculated Property |
| Cp,gas | 633.65 | J/mol×K | 725.65 | Joback Calculated Property |
| Cp,gas | 652.18 | J/mol×K | 760.88 | Joback Calculated Property |
| Cp,gas | 670.22 | J/mol×K | 796.11 | Joback Calculated Property |
| Cp,gas | 687.97 | J/mol×K | 831.33 | Joback Calculated Property |
| Cp,gas | 705.66 | J/mol×K | 866.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Selin-1-en-4-«alpha»-ol.
Sources
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