- InChI
- InChI=1S/C15H26O2/c1-10(2)6-5-7-11(3)13-9-8-12(4)14(16)15(13)17/h6,8,11,13-17H,5,7,9H2,1-4H3/t11?,13?,14-,15+/m0/s1
- InChI Key
- SDAWXTDBEYZMMX-RIXNLZLZSA-N
- Formula
- C15H26O2
- SMILES
- CC(C)=CCCC(C)C1CC=C(C)C(O)C1O
- 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).
- 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 | 0.6382 | Relay (1.0) Calculated Property | |
| ΔfG° | -99.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -434.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.057 | Crippen Calculated Property | |
| McVol | 214.490 | ml/mol | McGowan Calculated Property |
| Pc | 1977.07 | kPa | Joback Calculated Property |
| Inp | [1745.00; 1749.00] |
|
|
| Inp | 1745.00 | NIST | |
| Inp | 1749.00 | NIST | |
| I | [2585.00; 2596.00] |
|
|
| I | 2585.00 | NIST | |
| I | 2596.00 | NIST | |
| Tboil | 587.08 | K | Relay (1.0) Calculated Property |
| Tc | 788.55 | K | Relay (1.0) Calculated Property |
| Tfus | 359.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.735 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [659.73; 741.00] | J/mol×K | [744.91; 931.25] |
|
| Cp,gas | 659.73 | J/mol×K | 744.91 | Joback Calculated Property |
| Cp,gas | 675.30 | J/mol×K | 775.97 | Joback Calculated Property |
| Cp,gas | 690.03 | J/mol×K | 807.02 | Joback Calculated Property |
| Cp,gas | 703.93 | J/mol×K | 838.08 | Joback Calculated Property |
| Cp,gas | 717.03 | J/mol×K | 869.13 | Joback Calculated Property |
| Cp,gas | 729.38 | J/mol×K | 900.19 | Joback Calculated Property |
| Cp,gas | 741.00 | J/mol×K | 931.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bisabola-1(6),10-dien-cis-2,3-diol A.
Sources
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