- InChI
- InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)24(28(26,4)5)12-15-32(9)25(30)11-10-22-23-20-27(2,3)16-17-29(23,6)18-19-31(22,32)8/h16-17,22-26H,10-15,18-20H2,1-9H3/t22?,23?,24?,25?,26-,29+,30-,31+,32+/m1/s1
- InChI Key
- BWGPCAAUBIQZKQ-ROISWWGESA-N
- Formula
- C32H52O2
- SMILES
-
CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC
2C4CC(C)(C)C=CC4(C)CCC23C)C1(C )C - Molecular Weight1
- 468.75
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 154.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -600.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.28 | kJ/mol | Joback Calculated Property |
| log10WS | -9.10 | Crippen Calculated Property | |
| logPoct/wat | 8.596 | Crippen Calculated Property | |
| McVol | 410.580 | ml/mol | McGowan Calculated Property |
| Pc | 912.18 | kPa | Joback Calculated Property |
| Inp | [3443.00; 3443.00] |
|
|
| Inp | 3443.00 | NIST | |
| Inp | 3443.00 | NIST | |
| Tboil | 1044.02 | K | Joback Calculated Property |
| Tc | 1296.76 | K | Joback Calculated Property |
| Tfus | 706.34 | K | Joback Calculated Property |
| Vc | 1.548 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1705.97; 2240.12] | J/mol×K | [1044.02; 1296.76] |
|
| Cp,gas | 1705.97 | J/mol×K | 1044.02 | Joback Calculated Property |
| Cp,gas | 1773.88 | J/mol×K | 1086.14 | Joback Calculated Property |
| Cp,gas | 1848.91 | J/mol×K | 1128.27 | Joback Calculated Property |
| Cp,gas | 1932.05 | J/mol×K | 1170.39 | Joback Calculated Property |
| Cp,gas | 2024.31 | J/mol×K | 1212.51 | Joback Calculated Property |
| Cp,gas | 2126.66 | J/mol×K | 1254.64 | Joback Calculated Property |
| Cp,gas | 2240.12 | J/mol×K | 1296.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to psi-Taraxasterol (20-taraxastenol) acetate.
Sources
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