- InChI
- InChI=1S/C32H50O2/c1-21(2)11-10-12-22(3)24-15-19-32(9)26-13-14-27-29(5,6)28(34-23(4)33)17-18-30(27,7)25(26)16-20-31(24,32)8/h11,13,16,22,24,27-28H,10,12,14-15,17-20H2,1-9H3/t22-,24-,27?,28+,30-,31-,32+/m0/s1
- InChI Key
- SJXLZCIHOACHCY-XKRINNQWSA-N
- Formula
- C32H50O2
- SMILES
-
CC(=O)OC1CCC2(C)C3=CCC4(C)C(C(
C)CCC=C(C)C)CCC4(C)C3=CCC2C1(C )C - Molecular Weight1
- 466.74
- 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° | 231.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -493.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.52 | kJ/mol | Joback Calculated Property |
| log10WS | -9.64 | Crippen Calculated Property | |
| logPoct/wat | 8.826 | Crippen Calculated Property | |
| McVol | 412.840 | ml/mol | McGowan Calculated Property |
| Pc | 859.48 | kPa | Joback Calculated Property |
| Inp | [3316.00; 3316.00] |
|
|
| Inp | 3316.00 | NIST | |
| Inp | 3316.00 | NIST | |
| Tboil | 1054.99 | K | Joback Calculated Property |
| Tc | 1298.03 | K | Joback Calculated Property |
| Tfus | 652.12 | K | Joback Calculated Property |
| Vc | 1.575 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1621.27; 2016.17] | J/mol×K | [1054.99; 1298.03] |
|
| Cp,gas | 1621.27 | J/mol×K | 1054.99 | Joback Calculated Property |
| Cp,gas | 1673.78 | J/mol×K | 1095.50 | Joback Calculated Property |
| Cp,gas | 1730.72 | J/mol×K | 1136.00 | Joback Calculated Property |
| Cp,gas | 1792.76 | J/mol×K | 1176.51 | Joback Calculated Property |
| Cp,gas | 1860.58 | J/mol×K | 1217.02 | Joback Calculated Property |
| Cp,gas | 1934.83 | J/mol×K | 1257.52 | Joback Calculated Property |
| Cp,gas | 2016.17 | J/mol×K | 1298.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Agnosterol acetate.
Sources
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