- InChI
- InChI=1S/C15H24O/c1-11(2)6-5-7-12(3)13-8-9-15(4)14(10-13)16-15/h6,13-14H,3,5,7-10H2,1-2,4H3
- InChI Key
- GCCYGVVSKKTGJQ-UHFFFAOYSA-N
- Formula
- C15H24O
- SMILES
- C=C(CCC=C(C)C)C1CCC2(C)OC2C1
- 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 | 0.4132 | Relay (1.0) Calculated Property | |
| ΔfG° | 236.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -186.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.247 | Crippen Calculated Property | |
| McVol | 197.760 | ml/mol | McGowan Calculated Property |
| Pc | 1947.51 | kPa | Joback Calculated Property |
| Inp | [1590.00; 1590.00] |
|
|
| Inp | 1590.00 | NIST | |
| Inp | 1590.00 | NIST | |
| I | [2038.00; 2038.00] |
|
|
| I | 2038.00 | NIST | |
| I | 2038.00 | NIST | |
| I | 2038.00 | NIST | |
| Tboil | 553.28 | K | Relay (1.0) Calculated Property |
| Tc | 754.97 | K | Relay (1.0) Calculated Property |
| Tfus | 261.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.720 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [530.28; 638.16] | J/mol×K | [583.47; 794.07] |
|
| Cp,gas | 530.28 | J/mol×K | 583.47 | Joback Calculated Property |
| Cp,gas | 550.93 | J/mol×K | 618.57 | Joback Calculated Property |
| Cp,gas | 570.27 | J/mol×K | 653.67 | Joback Calculated Property |
| Cp,gas | 588.50 | J/mol×K | 688.77 | Joback Calculated Property |
| Cp,gas | 605.77 | J/mol×K | 723.87 | Joback Calculated Property |
| Cp,gas | 622.27 | J/mol×K | 758.97 | Joback Calculated Property |
| Cp,gas | 638.16 | J/mol×K | 794.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to bisabolene oxide.
Sources
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