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

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

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

C_p,gas : Ideal gas heat capacity (J/mol×K).
Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
P_c : Critical Pressure (kPa).
T_boil : Normal Boiling Point Temperature (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
Δ_fG°	75.15	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-460.22	kJ/mol	Joback Calculated Property
Δ_fusH°	39.95	kJ/mol	Joback Calculated Property
Δ_vapH°	85.42	kJ/mol	Joback Calculated Property
log₁₀WS	-5.84		Crippen Calculated Property
logP_oct/wat	4.426		Crippen Calculated Property
McVol	307.560	ml/mol	McGowan Calculated Property
P_c	1451.25	kPa	Joback Calculated Property
T_boil	930.14	K	Joback Calculated Property
T_c	1172.80	K	Joback Calculated Property
T_fus	654.05	K	Joback Calculated Property
V_c	1.157	m³/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[1095.61; 1273.56]	J/mol×K	[930.14; 1172.80]

C_p,gas	1095.61	J/mol×K	930.14	Joback Calculated Property
C_p,gas	1122.89	J/mol×K	970.58	Joback Calculated Property
C_p,gas	1150.65	J/mol×K	1011.03	Joback Calculated Property
C_p,gas	1179.23	J/mol×K	1051.47	Joback Calculated Property
C_p,gas	1209.00	J/mol×K	1091.92	Joback Calculated Property
C_p,gas	1240.33	J/mol×K	1132.36	Joback Calculated Property
C_p,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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