- InChI
- InChI=1S/C20H26O3/c1-3-19(22)10-8-16-15-5-4-13-12-14(21)6-11-20(13,23)17(15)7-9-18(16,19)2/h1,12,15-17,22-23H,4-11H2,2H3
- InChI Key
- GYRPICHNIDQFOD-UHFFFAOYSA-N
- Formula
- C20H26O3
- SMILES
-
C#CC1(O)CCC2C3CCC4=CC(=O)CCC4(
O)C3CCC21C - Molecular Weight1
- 314.42
- 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 | 0.6406 | Relay (1.0) Calculated Property | |
| ΔfG° | 115.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -306.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | [-4.57; -4.57] |
|
|
| log10WS | -4.57 | Aq. Solubility Prediction | |
| log10WS | -4.57 | Estimated Solubility | |
| logPoct/wat | 2.607 | Crippen Calculated Property | |
| McVol | 249.630 | ml/mol | McGowan Calculated Property |
| Pc | 2412.37 | kPa | Joback Calculated Property |
| Tboil | 656.43 | K | Relay (1.0) Calculated Property |
| Tc | 982.76 | K | Relay (1.0) Calculated Property |
| Tfus | 460.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.882 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [917.87; 1126.39] | J/mol×K | [943.13; 1181.17] |
|
| Cp,gas | 917.87 | J/mol×K | 943.13 | Joback Calculated Property |
| Cp,gas | 945.96 | J/mol×K | 982.80 | Joback Calculated Property |
| Cp,gas | 976.11 | J/mol×K | 1022.48 | Joback Calculated Property |
| Cp,gas | 1008.77 | J/mol×K | 1062.15 | Joback Calculated Property |
| Cp,gas | 1044.40 | J/mol×K | 1101.82 | Joback Calculated Property |
| Cp,gas | 1083.45 | J/mol×K | 1141.49 | Joback Calculated Property |
| Cp,gas | 1126.39 | J/mol×K | 1181.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Norethisterone.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
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