- 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/h8,10,19,21,24-28H,9,11-18H2,1-7H3/b20-8-/t21-,24-,25?,26?,27?,28?,29-,30+/m1/s1
- InChI Key
- FPNGSVYWFLQCOM-YBEYRSLXSA-N
- Formula
- C30H48O2
- SMILES
-
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(
C)C(C(C)CC=C(C)C(C)C)CCC32)C1 - 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 | 0.6080 | Relay (1.0) Calculated Property | |
| ΔfG° | 203.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -645.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.126 | Crippen Calculated Property | |
| McVol | 388.960 | ml/mol | McGowan Calculated Property |
| Pc | 906.15 | kPa | Joback Calculated Property |
| Inp | [3269.00; 3269.00] |
|
|
| Inp | 3269.00 | NIST | |
| Inp | 3269.00 | NIST | |
| Tboil | 682.16 | K | Relay (1.0) Calculated Property |
| Tc | 960.32 | K | Relay (1.0) Calculated Property |
| Tfus | 398.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.364 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1476.56; 1704.46] | J/mol×K | [1004.17; 1239.29] |
|
| Cp,gas | 1476.56 | J/mol×K | 1004.17 | Joback Calculated Property |
| Cp,gas | 1510.91 | J/mol×K | 1043.36 | Joback Calculated Property |
| Cp,gas | 1546.20 | J/mol×K | 1082.54 | Joback Calculated Property |
| Cp,gas | 1582.81 | J/mol×K | 1121.73 | Joback Calculated Property |
| Cp,gas | 1621.13 | J/mol×K | 1160.92 | Joback Calculated Property |
| Cp,gas | 1661.55 | J/mol×K | 1200.10 | Joback Calculated Property |
| Cp,gas | 1704.46 | J/mol×K | 1239.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5,23-Ergostadienol acetate.
Sources
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