Chemical Properties of Norethynodrel (CAS 68-23-5)

InChI

InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,16-18,22H,4-12H2,2H3/t16?,17?,18?,19?,20-/m0/s1

InChI Key

ICTXHFFSOAJUMG-CEVCPLMDSA-N

Formula

C20H26O2

SMILES

C#CC1(O)CCC2C3CCC4=C(CCC(=O)C4)C3CCC21C

Molecular Weight¹

298.42

CAS

68-23-5

Other Names

• 19-Norpregn-5(10)-en-20-yn-3-one, 17-hydroxy-, (17«alpha»)-
• Enidrel
• Estr-5(10)-en-3-one, 17«alpha»-ethynyl-17-hydroxy-
• Norethinodrel
• Norethinynodrel
• Norethynodral
• SC-4642
• 17«alpha»-Ethinyl-«DELTA»5(10)-19-nortestosterone
• 17«alpha»-Ethinyl-estra(5,10)eneolone
• 17«alpha»-Ethinyl-17«beta»-hydroxy-«DELTA»5(10)-estren-3-one
• 17«alpha»-Ethinyl-5,10-estrenolone
• 17«alpha»-Ethynyl-estr-5(10)-en-3-on-17«beta»-ol
• 17«alpha»-Ethynyl-17«beta»-hydroxy-«DELTA»5(10)-estren-3-one
• 17«alpha»-Ethynyl-17«beta»-hydroxy-3-oxo-«DELTA»5(10)-estrene
• 17«alpha»-Ethynyl-17«beta»-hydroxyestr-5(10)-en-3-one
• 17«alpha»-Ethynyl-17-hydroxy-5(10)-estren-3-one
• 17«alpha»-Ethynyl-19-nor-5(10)-androsten-17«beta»-ol-3-one
• 17«alpha»-Ethynyl-5(10)-estren-17-ol-3-one
• 17«alpha»-Ethynylestr-5(10)-en-17«beta»-ol-3-one
• 17-Hydroxy(17«alpha»)-19-norpregn-5(10)-en-20-yn-3-one
• 17-Hydroxy-19-nor-17«alpha»-pregn-5(10)-en-20-yn-3-one
• 19-nor-17«alpha»-Pregn-5(10)-en-20-yn-3-one, 17-hydroxy-
• 19-Norethynodrel
• 17-Ethinyl-5(10)-estraeneolone
• 17-«alpha»-Ethynyl-17-hydroxyestr-5(10)-en-3-one
• 17-«alpha»-Ethynyl-17-«beta»-hydroxy-5(10)-estren-3-one
• (17-«alpha»)-17-Hydroxy-19-norpregn-5(10)-en-20-yn-3-one
• 17-«beta»-Hydroxy-17-«alpha»-ethinyl-5(10)-estren-3-one
• Lynestrol
• 19-Nor-ethinyl-5,10-testosterone
• NSC-15432
• Noretynodrel
• 17«alpha»-Hydroxy-19-norpregn-5(10)-en-20-yn-3-one
• 17-Ethynyl-17-hydroxyestr-«DELTA»5(10)-en-3-one, (17«alpha»,17«beta»)-
• 5(10)-Estren-3-one, 17alpha-ethynyl-17beta-hydroxy-

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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).
• I_np : Non-polar retention indices.
• 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.

Physical Properties

Property	Value	Unit	Source
ω	0.5371		Relay (1.0) Calculated Property
ΔfG°	255.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-132.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.09	kJ/mol	Joback Calculated Property
ΔvapH°	117.51	kJ/mol	Relay (1.0) Calculated Property
IE	8.29	eV	Relay (1.0) Calculated Property
log10WS	-4.38		Relay (1.0) Calculated Property
logPoct/wat	3.637		Crippen Calculated Property
McVol	243.760	ml/mol	McGowan Calculated Property
Pc	2153.30	kPa	Joback Calculated Property
Inp	[2551.00; 2551.00]
Inp	2551.00		NIST
Inp	2551.00		NIST
Tboil	650.27	K	Relay (1.0) Calculated Property
Tc	945.37	K	Relay (1.0) Calculated Property
Tfus	484.90	K	Relay (1.0) Calculated Property
Vc	0.830	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[839.60; 995.57]	J/mol×K	[860.36; 1106.20]
Cp,gas	839.60	J/mol×K	860.36	Joback Calculated Property
Cp,gas	863.44	J/mol×K	901.33	Joback Calculated Property
Cp,gas	887.64	J/mol×K	942.31	Joback Calculated Property
Cp,gas	912.58	J/mol×K	983.28	Joback Calculated Property
Cp,gas	938.63	J/mol×K	1024.25	Joback Calculated Property
Cp,gas	966.17	J/mol×K	1065.23	Joback Calculated Property
Cp,gas	995.57	J/mol×K	1106.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Norethynodrel.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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