- 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/h19,21,23-24,26-27H,3,8-18H2,1-2,4-7H3/t21?,23-,24?,26?,27?,29?,30?/m1/s1
- InChI Key
- QWRWBTVGCRGCNH-GROYKDTCSA-N
- Formula
- C30H48O2
- SMILES
-
C=C(CCC(C)C1CCC2C3=C(CCC21C)C1
(C)CCC(OC(C)=O)CC1CC3)C(C)C - Molecular Weight1
- 440.70
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6454 | Relay (... Calculated Property | |
| ΔfG° | 209.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -629.79 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 38.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 130.55 | kJ/mol | Relay (... Calculated Property |
| IE | 7.90 | eV | Relay (... Calculated Property |
| log10WS | -6.89 | Relay (... Calculated Property | |
| logPoct/wat | 8.270 | Crippen Calculated Property | |
| McVol | 388.960 | ml/mol | McGowan Calculated Property |
| Pc | 910.53 | kPa | Joback Calculated Property |
| Inp | 3297.00 | NIST | |
| Tboil | 703.21 | K | Relay (... Calculated Property |
| Tc | 967.01 | K | Relay (... Calculated Property |
| Tfus | 381.18 | K | Relay (... Calculated Property |
| Vc | 1.377 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1470.76; 1695.22] | J/mol×K | [1006.34; 1240.29] | 
|
| Cp,gas | 1470.76 | J/mol×K | 1006.34 | Joback Calculated Property |
| Cp,gas | 1504.65 | J/mol×K | 1045.33 | Joback Calculated Property |
| Cp,gas | 1539.45 | J/mol×K | 1084.32 | Joback Calculated Property |
| Cp,gas | 1575.54 | J/mol×K | 1123.32 | Joback Calculated Property |
| Cp,gas | 1613.28 | J/mol×K | 1162.31 | Joback Calculated Property |
| Cp,gas | 1653.05 | J/mol×K | 1201.30 | Joback Calculated Property |
| Cp,gas | 1695.22 | J/mol×K | 1240.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fecosterol acetate.
Sources
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