Chemical Properties of Ethynodiol diacetate (CAS 297-76-7)

Ethynodiol diacetate

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
  • (3-«beta»,17-«alpha»)-19-Norpregn-4-en-20-yne-3,17-diol diacetate
  • 17«alpha»-Ethynyl-19-norandrost-4-ene-3«beta»,17«beta»-diol diacetate
  • 17«alpha»-Ethynyl-3,17-dihydroxy-4-estrene diacetate, (3«beta»,17«beta»)-
  • 17«alpha»-Ethynyl-4-estrene-3«beta»,17-diol diacetate
  • 17«alpha»-Ethynyl-4-estrene-3«beta»,17«beta»-diol diacetate
  • 17«alpha»-Ethynylestr-4-ene-3«beta»,17«beta»-diol acetate
  • 19-Nor-17-«alpha»-pregn-4-en-20-yne-3-«beta»,17-diol diacetate
  • 19-Nor-17«alpha»-pregn-4-en-20-yn-3«beta»,17-diol diacetate
  • 19-Norpregn-4-en-20-yne-3,17-diol, diacetate, (3«beta»,17«alpha»)-
  • 3«beta», 17«beta»-Diacetoxy-17-«alpha»-ethynyl-4-oestrene
  • 3«beta»,17«beta»-Diacetoxy-19-nor-17-«alpha»-pregn-4-en-20-yne
  • 8080 C. B.
  • Cervicundin
  • Ethinodiol diacetate
  • Ethynodiol acetate
  • Etynodiol diacetate
  • Femulen
  • Luteonorm
  • Luto-metrodiol
  • Metrodiol
  • Metrodiol diacetate
  • Ovulen 50
  • SC 11800
  • «beta»-Ethynodiol diacetate
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 43.12 kJ/mol Joback 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
Tfus 397.02 K Relay (1.0) Calculated Property

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
Cp,gas [1075.18; 1238.40] J/mol×K [894.20; 1133.64] Show Hide
Cp,gas 1075.18 J/mol×K 894.20 Joback Calculated Property
Cp,gas 1101.11 J/mol×K 934.11 Joback Calculated Property
Cp,gas 1127.09 J/mol×K 974.01 Joback Calculated Property
Cp,gas 1153.45 J/mol×K 1013.92 Joback Calculated Property
Cp,gas 1180.56 J/mol×K 1053.83 Joback Calculated Property
Cp,gas 1208.76 J/mol×K 1093.74 Joback Calculated Property
Cp,gas 1238.40 J/mol×K 1133.64 Joback Calculated Property

Similar Compounds

3Beta,17beta-diacetoxyandrost-5-ene. Norethindrone Acetate. Aristol-1(10)-en-9-yl isovalerate. Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15-acetate 8-(3-methylbutanoate), (3«alpha»,4«beta»,8«alpha»)-. Testosterone, TFA. T-2 Mycotoxin. Glutaric acid, myrtenyl 2-methylpent-3-yl ester. trans-Verbenyl caprate. trans-Verbenyl laureate. Androst-5-ene-3,17-diol, 3-acetate, (3«beta»,17«beta»)-. T-2 toxin. GA32, MeTMSi. GA87, MeTMSi. 12-«alpha»-Hydroxy-GA3 = GA87, Me-TMS. 12-«beta»-Hydroxy-GA3, MeTMSi.

Find more compounds similar to Ethynodiol diacetate.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.