- InChI
- InChI=1S/C30H48O2/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/h8-9,13,19-21,23-26,28H,10-12,14-18H2,1-7H3/b9-8+/t20-,21-,23?,24+,25?,26-,28?,29+,30-/m0/s1
- InChI Key
- OHRMRKIWNRAKLQ-AIDIGEJDSA-N
- Formula
- C30H48O2
- SMILES
-
CC(=O)OC1CCC2(C)C(CCC3C4=CCC(C
(C)C=CC(C)C(C)C)C4(C)CCC32)C1 - Molecular Weight1
- 440.70
- 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° | 209.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -529.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.56 | kJ/mol | Joback Calculated Property |
| log10WS | -8.47 | Crippen Calculated Property | |
| logPoct/wat | 7.982 | Crippen Calculated Property | |
| McVol | 388.960 | ml/mol | McGowan Calculated Property |
| Pc | 907.79 | kPa | Joback Calculated Property |
| Inp | [2709.00; 2711.00] |
|
|
| Inp | 2711.00 | NIST | |
| Inp | 2709.00 | NIST | |
| Inp | 2711.00 | NIST | |
| Tboil | 1003.85 | K | Joback Calculated Property |
| Tc | 1239.22 | K | Joback Calculated Property |
| Tfus | 552.46 | K | Joback Calculated Property |
| Vc | 1.468 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1477.08; 1704.06] | J/mol×K | [1003.85; 1239.22] |
|
| Cp,gas | 1477.08 | J/mol×K | 1003.85 | Joback Calculated Property |
| Cp,gas | 1511.34 | J/mol×K | 1043.08 | Joback Calculated Property |
| Cp,gas | 1546.51 | J/mol×K | 1082.31 | Joback Calculated Property |
| Cp,gas | 1582.99 | J/mol×K | 1121.54 | Joback Calculated Property |
| Cp,gas | 1621.14 | J/mol×K | 1160.76 | Joback Calculated Property |
| Cp,gas | 1661.37 | J/mol×K | 1199.99 | Joback Calculated Property |
| Cp,gas | 1704.06 | J/mol×K | 1239.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (22E)-3«alpha»-Ergosta-14,22-dien-5«beta»-ol, acetate.
Sources
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