- InChI
- InChI=1S/C32H54O2/c1-20(2)21(3)10-11-22(4)25-14-18-32(9)28-13-12-26-23(5)29(34-24(6)33)16-17-30(26,7)27(28)15-19-31(25,32)8/h20-23,25-26,29H,10-19H2,1-9H3/t21?,22-,23+,25-,26?,29+,30+,31-,32+/m0/s1
- InChI Key
- AEUXNTWFROSOOS-AYUWEKAFSA-N
- Formula
- C32H54O2
- SMILES
-
CC(=O)OC1CCC2(C)C3=C(CCC2C1C)C
1(C)CCC(C(C)CCC(C)C(C)C)C1(C)C C3 - Molecular Weight1
- 470.77
- 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° | 130.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -684.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.57 | kJ/mol | Joback Calculated Property |
| log10WS | -9.45 | Crippen Calculated Property | |
| logPoct/wat | 8.986 | Crippen Calculated Property | |
| McVol | 421.440 | ml/mol | McGowan Calculated Property |
| Pc | 801.15 | kPa | Joback Calculated Property |
| Inp | [3336.00; 3336.00] |
|
|
| Inp | 3336.00 | NIST | |
| Inp | 3336.00 | NIST | |
| Tboil | 1050.67 | K | Joback Calculated Property |
| Tc | 1289.34 | K | Joback Calculated Property |
| Tfus | 616.50 | K | Joback Calculated Property |
| Vc | 1.599 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1665.41; 1977.62] | J/mol×K | [1050.67; 1289.34] |
|
| Cp,gas | 1665.41 | J/mol×K | 1050.67 | Joback Calculated Property |
| Cp,gas | 1709.67 | J/mol×K | 1090.45 | Joback Calculated Property |
| Cp,gas | 1756.37 | J/mol×K | 1130.23 | Joback Calculated Property |
| Cp,gas | 1806.02 | J/mol×K | 1170.01 | Joback Calculated Property |
| Cp,gas | 1859.12 | J/mol×K | 1209.79 | Joback Calculated Property |
| Cp,gas | 1916.15 | J/mol×K | 1249.56 | Joback Calculated Property |
| Cp,gas | 1977.62 | J/mol×K | 1289.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 24(28)-Dihydroobtusifoliol acetate.
Sources
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