- InChI
- InChI=1S/C23H35NO4/c1-13(25)24-20-8-7-18-17-6-5-15-11-16(28-14(2)26)9-10-22(15,3)19(17)12-21(27)23(18,20)4/h15-20H,5-12H2,1-4H3,(H,24,25)
- InChI Key
- JLPROZIQMZUUDI-UHFFFAOYSA-N
- Formula
- C23H35NO4
- SMILES
-
CC(=O)NC1CCC2C3CCC4CC(OC(C)=O)
CCC4(C)C3CC(=O)C12C - Molecular Weight1
- 389.53
- CAS
- 16319-63-4
- 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° | -112.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -750.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.35 | kJ/mol | Joback Calculated Property |
| log10WS | -4.91 | Crippen Calculated Property | |
| logPoct/wat | 3.645 | Crippen Calculated Property | |
| McVol | 312.050 | ml/mol | McGowan Calculated Property |
| Pc | 1406.95 | kPa | Joback Calculated Property |
| Tboil | 1003.90 | K | Joback Calculated Property |
| Tc | 1248.86 | K | Joback Calculated Property |
| Tfus | 676.94 | K | Joback Calculated Property |
| Vc | 1.175 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1210.40; 1402.51] | J/mol×K | [1003.90; 1248.86] | 
|
| Cp,gas | 1210.40 | J/mol×K | 1003.90 | Joback Calculated Property |
| Cp,gas | 1239.74 | J/mol×K | 1044.73 | Joback Calculated Property |
| Cp,gas | 1269.71 | J/mol×K | 1085.55 | Joback Calculated Property |
| Cp,gas | 1300.63 | J/mol×K | 1126.38 | Joback Calculated Property |
| Cp,gas | 1332.85 | J/mol×K | 1167.20 | Joback Calculated Property |
| Cp,gas | 1366.70 | J/mol×K | 1208.03 | Joback Calculated Property |
| Cp,gas | 1402.51 | J/mol×K | 1248.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5Beta-androstan-12-one,17beta-acetamido-3alpha-hydroxy-,acetate.
Sources
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