Chemical Properties of Estra-1,3,5(10)-trien-17-one, 3-hydroxy-2-methoxy- (CAS 362-08-3)

InChI

InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3

InChI Key

WHEUWNKSCXYKBU-UHFFFAOYSA-N

Formula

C19H24O3

SMILES

COc1cc2c(cc1O)CCC1C2CCC2(C)C(=O)CCC12

Molecular Weight¹

300.39

CAS

362-08-3

Other Names

• 2-Hydroxyestrone 2-methyl ether
• 2-Methoxyestrone
• 3-hydroxy-2-methoxyestra-1,3,5(10)-trien-17-one

• 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.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-35.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-468.15	kJ/mol	Joback Calculated Property
ΔfusH°	29.69	kJ/mol	Joback Calculated Property
ΔvapH°	79.78	kJ/mol	Joback Calculated Property
log10WS	-4.30		Crippen Calculated Property
logPoct/wat	3.826		Crippen Calculated Property
McVol	235.540	ml/mol	McGowan Calculated Property
Pc	2220.80	kPa	Joback Calculated Property
Inp	[2793.20; 2793.20]
Inp	2793.20		NIST
Inp	2793.20		NIST
Tboil	865.95	K	Joback Calculated Property
Tc	1121.10	K	Joback Calculated Property
Tfus	623.96	K	Joback Calculated Property
Vc	0.835	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[803.23; 937.67]	J/mol×K	[865.95; 1121.10]
Cp,gas	803.23	J/mol×K	865.95	Joback Calculated Property
Cp,gas	825.02	J/mol×K	908.47	Joback Calculated Property
Cp,gas	846.64	J/mol×K	951.00	Joback Calculated Property
Cp,gas	868.41	J/mol×K	993.52	Joback Calculated Property
Cp,gas	890.64	J/mol×K	1036.05	Joback Calculated Property
Cp,gas	913.62	J/mol×K	1078.57	Joback Calculated Property
Cp,gas	937.67	J/mol×K	1121.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Estra-1,3,5(10)-trien-17-one, 3-hydroxy-2-methoxy-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.