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

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-

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).
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.

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Physical Properties

Property	Value	Unit	Source
Δ_fG°	255.69	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-148.78	kJ/mol	Joback Calculated Property
Δ_fusH°	25.09	kJ/mol	Joback Calculated Property
Δ_vapH°	80.41	kJ/mol	Joback Calculated Property
log₁₀WS	-5.11		Crippen Calculated Property
logP_oct/wat	3.637		Crippen Calculated Property
McVol	243.760	ml/mol	McGowan Calculated Property
P_c	2153.30	kPa	Joback Calculated Property
I_np	[2551.00; 2551.00]
I_np	2551.00		NIST
I_np	2551.00		NIST
T_boil	860.36	K	Joback Calculated Property
T_c	1106.20	K	Joback Calculated Property
T_fus	614.69	K	Joback Calculated Property
V_c	0.912	m³/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[839.60; 995.57]	J/mol×K	[860.36; 1106.20]

C_p,gas	839.60	J/mol×K	860.36	Joback Calculated Property
C_p,gas	863.44	J/mol×K	901.33	Joback Calculated Property
C_p,gas	887.64	J/mol×K	942.31	Joback Calculated Property
C_p,gas	912.58	J/mol×K	983.28	Joback Calculated Property
C_p,gas	938.63	J/mol×K	1024.25	Joback Calculated Property
C_p,gas	966.17	J/mol×K	1065.23	Joback Calculated Property
C_p,gas	995.57	J/mol×K	1106.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Norethynodrel.

Sources

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