- InChI
- InChI=1S/C23H35NO3/c1-13(25)24-19-11-16-17-5-6-20(27-14(2)26)21(17,3)9-8-18(16)22(4)10-7-15-12-23(15,19)22/h15-20H,5-12H2,1-4H3,(H,24,25)
- InChI Key
- BLICXILAAZQDCC-UHFFFAOYSA-N
- Formula
- C23H35NO3
- SMILES
-
CC(=O)NC1CC2C3CCC(OC(C)=O)C3(C
)CCC2C2(C)CCC3CC312 - Molecular Weight1
- 373.53
- 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).
- 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 | 0.6220 | Relay (1.0) Calculated Property | |
| ΔfG° | 101.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -620.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.075 | Crippen Calculated Property | |
| McVol | 299.620 | ml/mol | McGowan Calculated Property |
| Pc | 1478.15 | kPa | Joback Calculated Property |
| Tboil | 649.15 | K | Relay (1.0) Calculated Property |
| Tc | 980.35 | K | Relay (1.0) Calculated Property |
| Tfus | 432.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.101 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1131.90; 1363.48] | J/mol×K | [930.25; 1166.07] | 
|
| Cp,gas | 1131.90 | J/mol×K | 930.25 | Joback Calculated Property |
| Cp,gas | 1164.05 | J/mol×K | 969.55 | Joback Calculated Property |
| Cp,gas | 1198.08 | J/mol×K | 1008.86 | Joback Calculated Property |
| Cp,gas | 1234.53 | J/mol×K | 1048.16 | Joback Calculated Property |
| Cp,gas | 1273.90 | J/mol×K | 1087.47 | Joback Calculated Property |
| Cp,gas | 1316.71 | J/mol×K | 1126.77 | Joback Calculated Property |
| Cp,gas | 1363.48 | J/mol×K | 1166.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3Alpha,5alpha-cycloandrostane, 6beta-acetamido-17beta-acetoxy-.
Sources
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