- InChI
- InChI=1S/C30H50O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h10,19-21,24-28H,8-9,11-18H2,1-7H3/t20-,21+,24-,25-,26+,27-,28-,29-,30+/m1/s1
- InChI Key
- JOBAYBRAHVTSSW-NNRQEXCZSA-N
- Formula
- C30H50O2
- SMILES
-
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(
C)C(C(C)CCC(C)C(C)C)CCC32)C1 - Molecular Weight1
- 442.72
- 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° | 129.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -647.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.60 | kJ/mol | Joback Calculated Property |
| log10WS | -8.61 | Crippen Calculated Property | |
| logPoct/wat | 8.206 | Crippen Calculated Property | |
| McVol | 393.260 | ml/mol | McGowan Calculated Property |
| Pc | 880.00 | kPa | Joback Calculated Property |
| Inp | 3276.00 | NIST | |
| Tboil | 999.69 | K | Joback Calculated Property |
| Tc | 1231.31 | K | Joback Calculated Property |
| Tfus | 557.54 | K | Joback Calculated Property |
| Vc | 1.488 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1504.06; 1723.35] | J/mol×K | [999.69; 1231.31] | 
|
| Cp,gas | 1504.06 | J/mol×K | 999.69 | Joback Calculated Property |
| Cp,gas | 1537.82 | J/mol×K | 1038.29 | Joback Calculated Property |
| Cp,gas | 1572.22 | J/mol×K | 1076.90 | Joback Calculated Property |
| Cp,gas | 1607.63 | J/mol×K | 1115.50 | Joback Calculated Property |
| Cp,gas | 1644.38 | J/mol×K | 1154.10 | Joback Calculated Property |
| Cp,gas | 1682.84 | J/mol×K | 1192.71 | Joback Calculated Property |
| Cp,gas | 1723.35 | J/mol×K | 1231.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 22-Dihydrobrassicasterol acetate.
Sources
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