- InChI
- InChI=1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22+/m1/s1
- InChI Key
- IMONTRJLAWHYGT-FTMCFMMZSA-N
- Formula
- C22H28O2
- SMILES
-
C#CC1(OC(C)=O)CCC2C3CCC4=CC(=O
)CCC4C3CCC21C - Molecular Weight1
- 324.46
- CAS
- 51-98-9
- Other Names
-
- (17-«alpha»)-17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one
- 17-Acetoxy-19-nor-17«alpha»-pregn-4-en-20-yn-3-one
- 17-Acetyloxy(17«alpha»)-19-norpregn-4-estren-17«beta»-ol-acetate-3-one
- 17-Hydroxy-19-nor-17«alpha»-pregn-4-en-20-yn-3-one acetate
- 17«alpha»-Ethinyl-19-nortestosterone 17«beta»-acetate
- 17«alpha»-Ethinyl-19-nortestosterone acetate
- 17«alpha»-Ethynyl-17«beta»-hydroxyestr-4-en-3-one acetate
- 17«alpha»-Ethynyl-19-nortestosterone acetate
- 17«alpha»-Ethynyl-3-oxoestr-4-en-17«beta»-yl acetate
- 17«beta»-Acetoxy-19-nor-17«alpha»-pregn-4-en-20-yn-3-one
- 17«beta»-Hydroxy-19-nor-17«alpha»-pregn-4-en-20-yn-3-one acetate
- 19-Nor-17«alpha»-pregn-4-en-20-yn-3-one, 17-hydroxy-, acetate
- 19-Norethisterone acetate
- 19-Norethynyltestosterone acetate
- 19-Norpregn-4-en-20-yn-3-one, 17-(acetyloxy)-, (17«alpha»)-
- 19-nor-17«alpha»-Pregn-4-en-20-yn-3-one, 17-acetoxy-
- Aygestin
- ENTA
- Estr-4-en-3-one, 17«alpha»-ethynyl-17-hydroxy-, acetate
- Milli-Anovlar
- Milligynon
- Miniphase
- NSC 22844
- Norethindrone 17-acetate
- Norethisteron acetate
- Norethisterone acetate
- Norethynyltestosterone acetate
- Norethysterone acetate
- Norlutate
- Norlutin acetate
- Norlutin-A
- Norlutine acetate
- Orlutate
- Primolut-Nor
- Progylut
- SH 420
- SH-420C
- Testerone, 19-nor-17alpha-ethynyl-, acetate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 32.01 | kJ/mol | Joback Calculated Property |
| log10WS | [-4.80; -4.79] |
|
|
| log10WS | -4.79 | Aq. Solubility Prediction | |
| log10WS | -4.80 | Estimated Solubility | |
| logPoct/wat | 4.063 | Crippen Calculated Property | |
| McVol | 273.510 | ml/mol | McGowan Calculated Property |
| Tfus | [433.70; 480.00] | K |
|
| Tfus | 434.65 | K | Aq. Solubility Prediction |
| Tfus | 480.00 ± 1.00 | K | NIST |
| Tfus | 438.00 ± 1.00 | K | NIST |
| Tfus | 433.70 ± 1.00 | K | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 27.30 | kJ/mol | 480.00 | NIST |
| ΔfusS | 56.90 | J/mol×K | 480.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [358.23; 1025.37] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.34090e+02 | |||
| Coefficient B | 2.74774e+00 | |||
| Coefficient C | -2.35377e-03 | |||
| Coefficient D | 8.65490e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 358.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 481.73 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 586.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 675.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 750.79 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 815.80 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 873.02 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 925.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 975.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1025.37 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Norethindrone Acetate.
Sources
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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