- InChI
- InChI=1S/C29H50O/c1-19(2)20(3)8-9-21(4)24-13-16-29(7)26-11-10-22-18-23(30)12-15-27(22,5)25(26)14-17-28(24,29)6/h19-24,30H,8-18H2,1-7H3/t20-,21+,22-,23-,24+,27-,28+,29-/m1/s1
- InChI Key
- PZDUAWZXRQLIQU-HXTUKQKFSA-N
- Formula
- C29H50O
- SMILES
-
CC(C)C(C)CCC(C)C1CCC2(C)C3=C(C
CC12C)C1(C)CCC(O)CC1CC3 - Molecular Weight1
- 414.71
- CAS
- 33860-48-9
- Other Names
-
- 5«alpha»-Ergost-8-en-3«beta»-ol, 14-methyl-
- 14«alpha»-Methyl-«delta»8-ergostenol
- 14-Methylergost-8-en-3-ol, (3«beta»,5«alpha»)-
- 14«alpha»-Methyl-5«alpha»-ergosten-8-3«beta»-ol
- 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).
- 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° | 210.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -509.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.72 | kJ/mol | Joback Calculated Property |
| log10WS | -8.84 | Crippen Calculated Property | |
| logPoct/wat | 8.169 | Crippen Calculated Property | |
| McVol | 377.600 | ml/mol | McGowan Calculated Property |
| Pc | 997.65 | kPa | Joback Calculated Property |
| Tboil | 1002.59 | K | Joback Calculated Property |
| Tc | 1232.00 | K | Joback Calculated Property |
| Tfus | 575.59 | K | Joback Calculated Property |
| Vc | 1.427 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1464.10; 1739.69] | J/mol×K | [1002.59; 1232.00] | 
|
| Cp,gas | 1464.10 | J/mol×K | 1002.59 | Joback Calculated Property |
| Cp,gas | 1503.14 | J/mol×K | 1040.82 | Joback Calculated Property |
| Cp,gas | 1544.31 | J/mol×K | 1079.06 | Joback Calculated Property |
| Cp,gas | 1588.09 | J/mol×K | 1117.29 | Joback Calculated Property |
| Cp,gas | 1634.94 | J/mol×K | 1155.53 | Joback Calculated Property |
| Cp,gas | 1685.32 | J/mol×K | 1193.76 | Joback Calculated Property |
| Cp,gas | 1739.69 | J/mol×K | 1232.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ergost-8-en-3-ol, 14-methyl-, (3«beta»,5«alpha»)-.
Sources
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