- InChI
- InChI=1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19?,20?,21?,22?,23?,24+/m1/s1
- InChI Key
- ONKUMRGIYFNPJW-AIQDNJDKSA-N
- Formula
- C24H32O4
- SMILES
-
C#CC1(OC(C)=O)CCC2C3CCC4=CC(OC
(C)=O)CCC4C3CCC21C - Molecular Weight1
- 384.51
- CAS
- 297-76-7
- Other Names
-
- 19-Norpregn-4-en-20-yne-3,17-diol, diacetate, (3«beta»,17«alpha»)-
- 19-Nor-17-«alpha»-pregn-4-en-20-yne-3-«beta»,17-diol diacetate
- 8080 C. B.
- Cervicundin
- 3«beta», 17«beta»-Diacetoxy-17-«alpha»-ethynyl-4-oestrene
- 3«beta»,17«beta»-Diacetoxy-19-nor-17-«alpha»-pregn-4-en-20-yne
- Ethinodiol diacetate
- Ethynodiol acetate
- «beta»-Ethynodiol diacetate
- 17«alpha»-Ethynyl-3,17-dihydroxy-4-estrene diacetate, (3«beta»,17«beta»)-
- 17«alpha»-Ethynylestr-4-ene-3«beta»,17«beta»-diol acetate
- 17«alpha»-Ethynyl-4-estrene-3«beta»,17«beta»-diol diacetate
- 17«alpha»-Ethynyl-4-estrene-3«beta»,17-diol diacetate
- 17«alpha»-Ethynyl-19-norandrost-4-ene-3«beta»,17«beta»-diol diacetate
- Femulen
- Luto-metrodiol
- Metrodiol
- Metrodiol diacetate
- (3-«beta»,17-«alpha»)-19-Norpregn-4-en-20-yne-3,17-diol diacetate
- Ovulen 50
- SC 11800
- 19-Nor-17«alpha»-pregn-4-en-20-yn-3«beta»,17-diol diacetate
- Luteonorm
- Etynodiol diacetate
- 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 | 0.5546 | Relay (1.0) Calculated Property | |
| ΔfG° | 75.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -636.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.426 | Crippen Calculated Property | |
| McVol | 307.560 | ml/mol | McGowan Calculated Property |
| Pc | 1451.25 | kPa | Joback Calculated Property |
| Tboil | 673.51 | K | Relay (1.0) Calculated Property |
| Tc | 936.02 | K | Relay (1.0) Calculated Property |
| Tfus | 408.26 | K | Relay (1.0) Calculated Property |
| Vc | 1.065 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1095.61; 1273.56] | J/mol×K | [930.14; 1172.80] | 
|
| Cp,gas | 1095.61 | J/mol×K | 930.14 | Joback Calculated Property |
| Cp,gas | 1122.89 | J/mol×K | 970.58 | Joback Calculated Property |
| Cp,gas | 1150.65 | J/mol×K | 1011.03 | Joback Calculated Property |
| Cp,gas | 1179.23 | J/mol×K | 1051.47 | Joback Calculated Property |
| Cp,gas | 1209.00 | J/mol×K | 1091.92 | Joback Calculated Property |
| Cp,gas | 1240.33 | J/mol×K | 1132.36 | Joback Calculated Property |
| Cp,gas | 1273.56 | J/mol×K | 1172.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethynodiol diacetate.
Sources
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