- InChI
- InChI=1S/C15H26O2/c1-11-7-9-15(16,10-8-11)12(2)5-6-13-14(3,4)17-13/h7,12-13,16H,5-6,8-10H2,1-4H3/t12?,13?,15-/m0/s1
- InChI Key
- KSJJBQOSDNNHMT-PIMMBPRGSA-N
- Formula
- C15H26O2
- SMILES
- CC1=CCC(O)(C(C)CCC2OC2(C)C)CC1
- Molecular Weight1
- 238.37
- 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 | 0.5936 | Relay (1.0) Calculated Property | |
| ΔfG° | -63.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -455.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.441 | Crippen Calculated Property | |
| McVol | 207.930 | ml/mol | McGowan Calculated Property |
| Pc | 2155.30 | kPa | Joback Calculated Property |
| I | [2115.00; 2115.00] |
|
|
| I | 2115.00 | NIST | |
| I | 2115.00 | NIST | |
| Tboil | 560.35 | K | Relay (1.0) Calculated Property |
| Tc | 772.32 | K | Relay (1.0) Calculated Property |
| Tfus | 320.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.783 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [623.56; 726.63] | J/mol×K | [687.53; 892.17] |
|
| Cp,gas | 623.56 | J/mol×K | 687.53 | Joback Calculated Property |
| Cp,gas | 641.60 | J/mol×K | 721.64 | Joback Calculated Property |
| Cp,gas | 659.03 | J/mol×K | 755.74 | Joback Calculated Property |
| Cp,gas | 676.05 | J/mol×K | 789.85 | Joback Calculated Property |
| Cp,gas | 692.86 | J/mol×K | 823.96 | Joback Calculated Property |
| Cp,gas | 709.65 | J/mol×K | 858.07 | Joback Calculated Property |
| Cp,gas | 726.63 | J/mol×K | 892.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Bisabolol oxide.
Sources
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