- InChI
- InChI=1S/C26H32N2O4/c1-24-11-10-20-18(19(24)7-8-22(24)29)13-21(26-14-16(26)9-12-25(20,26)2)27-23(30)15-3-5-17(6-4-15)28(31)32/h3-6,16,18-21H,7-14H2,1-2H3,(H,27,30)/t16-,18?,19?,20?,21-,24?,25?,26+/m0/s1
- InChI Key
- JDBQTVZYXDVVOM-HULPVSOASA-N
- Formula
- C26H32N2O4
- SMILES
-
CC12CCC3C(CC(NC(=O)c4ccc([N+](
=O)[O-])cc4)C45CC4CCC35C)C1CCC 2=O - Molecular Weight1
- 436.54
- 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° | 384.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -226.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.96 | kJ/mol | Joback Calculated Property |
| log10WS | -7.18 | Crippen Calculated Property | |
| logPoct/wat | 4.915 | Crippen Calculated Property | |
| McVol | 329.680 | ml/mol | McGowan Calculated Property |
| Pc | 1551.22 | kPa | Joback Calculated Property |
| Tboil | 1178.59 | K | Joback Calculated Property |
| Tc | 1460.70 | K | Joback Calculated Property |
| Tfus | 877.78 | K | Joback Calculated Property |
| Vc | 1.274 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1443.81; 1954.49] | J/mol×K | [1178.59; 1460.70] | 
|
| Cp,gas | 1443.81 | J/mol×K | 1178.59 | Joback Calculated Property |
| Cp,gas | 1507.29 | J/mol×K | 1225.61 | Joback Calculated Property |
| Cp,gas | 1578.21 | J/mol×K | 1272.63 | Joback Calculated Property |
| Cp,gas | 1657.49 | J/mol×K | 1319.65 | Joback Calculated Property |
| Cp,gas | 1746.02 | J/mol×K | 1366.66 | Joback Calculated Property |
| Cp,gas | 1844.72 | J/mol×K | 1413.68 | Joback Calculated Property |
| Cp,gas | 1954.49 | J/mol×K | 1460.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5Alpha-cycloandrostan-17-one, 6beta-p-nitrobenzamido-3alpha-.
Sources
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