- InChI
- InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h18,21H,5-13H2,1-4H3/t18-,19-,20+/m1/s1
- InChI Key
- IROXAKIPGBQTGG-AQNXPRMDSA-N
- Formula
- C20H32O
- SMILES
-
CC(C)=C1CCC2=C(CCC3C(C)(CO)CCC
C23C)C1 - Molecular Weight1
- 288.47
- 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.
- 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 | 0.5766 | Relay (... Calculated Property | |
| ΔfG° | 139.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -221.73 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.42 | kJ/mol | Relay (... Calculated Property |
| IE | 7.69 | eV | Relay (... Calculated Property |
| log10WS | -4.68 | Relay (... Calculated Property | |
| logPoct/wat | 5.402 | Crippen Calculated Property | |
| McVol | 257.350 | ml/mol | McGowan Calculated Property |
| Pc | 1734.67 | kPa | Joback Calculated Property |
| Inp | [2271.00; 2271.00] |
|
|
| Inp | 2271.00 | NIST | |
| Inp | 2271.00 | NIST | |
| Tboil | 630.84 | K | Relay (... Calculated Property |
| Tc | 883.90 | K | Relay (... Calculated Property |
| Tfus | 412.14 | K | Relay (... Calculated Property |
| Vc | 0.878 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [841.08; 979.62] | J/mol×K | [806.87; 1027.65] |
|
| Cp,gas | 841.08 | J/mol×K | 806.87 | Joback Calculated Property |
| Cp,gas | 863.50 | J/mol×K | 843.67 | Joback Calculated Property |
| Cp,gas | 885.81 | J/mol×K | 880.46 | Joback Calculated Property |
| Cp,gas | 908.29 | J/mol×K | 917.26 | Joback Calculated Property |
| Cp,gas | 931.24 | J/mol×K | 954.06 | Joback Calculated Property |
| Cp,gas | 954.92 | J/mol×K | 990.86 | Joback Calculated Property |
| Cp,gas | 979.62 | J/mol×K | 1027.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Abieta-8,13(15)-dien-18-ol.
Sources
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