- InChI
- InChI=1S/C30H52O2/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/h19-21,23-28H,8-18H2,1-7H3/t20?,21?,23-,24-,25?,26?,27?,28?,29?,30?/m1/s1
- InChI Key
- CVXQLNHSKSSFSQ-XMFXJLEFSA-N
- Formula
- C30H52O2
- SMILES
-
CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C
)C(C(C)CCC(C)C(C)C)CCC32)C1 - Molecular Weight1
- 444.73
- CAS
- 4356-09-6
- Other Names
-
- 5«alpha»-Ergostan-3«beta»-ol, acetate
- Ergostan-3«beta»-yl acetate
- Ergostanol acetate
- Ergostanyl acetate
- 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 | 0.6890 | Relay (1.0) Calculated Property | |
| ΔfG° | 101.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -793.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.285 | Crippen Calculated Property | |
| McVol | 397.560 | ml/mol | McGowan Calculated Property |
| Pc | 852.47 | kPa | Joback Calculated Property |
| Inp | 3287.00 | NIST | |
| Tboil | 695.21 | K | Relay (1.0) Calculated Property |
| Tc | 976.77 | K | Relay (1.0) Calculated Property |
| Tfus | 390.11 | K | Relay (1.0) Calculated Property |
| Vc | 1.423 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1537.25; 1754.37] | J/mol×K | [990.88; 1220.52] | 
|
| Cp,gas | 1537.25 | J/mol×K | 990.88 | Joback Calculated Property |
| Cp,gas | 1571.26 | J/mol×K | 1029.15 | Joback Calculated Property |
| Cp,gas | 1605.69 | J/mol×K | 1067.43 | Joback Calculated Property |
| Cp,gas | 1640.87 | J/mol×K | 1105.70 | Joback Calculated Property |
| Cp,gas | 1677.15 | J/mol×K | 1143.97 | Joback Calculated Property |
| Cp,gas | 1714.87 | J/mol×K | 1182.25 | Joback Calculated Property |
| Cp,gas | 1754.37 | J/mol×K | 1220.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ergostan-3-ol, acetate, (3«beta»,5«alpha»)-.
Sources
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