Chemical Properties of 5«beta»,17«alpha»-Dihydroepitestosterone methanoate

InChI

InChI=1S/C20H30O3/c1-19-9-7-14(22)11-13(19)3-4-15-16-5-6-18(23-12-21)20(16,2)10-8-17(15)19/h12-13,15-18H,3-11H2,1-2H3/t13-,15?,16?,17?,18-,19+,20+/m0/s1

InChI Key

ZQSXNBHXKJQHBH-HIBXAUDXSA-N

Formula

C20H30O3

SMILES

CC12CCC(=O)CC1CCC1C2CCC2(C)C(OC=O)CCC12

Molecular Weight¹

318.45

• 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°	-61.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-581.77	kJ/mol	Joback Calculated Property
ΔfusH°	23.20	kJ/mol	Joback Calculated Property
ΔvapH°	70.77	kJ/mol	Joback Calculated Property
log10WS	-4.58		Crippen Calculated Property
logPoct/wat	4.140		Crippen Calculated Property
McVol	258.230	ml/mol	McGowan Calculated Property
Pc	1721.73	kPa	Joback Calculated Property
Inp	[2513.82; 2525.92]
Inp	2513.82		NIST
Inp	2525.92		NIST
Tboil	830.68	K	Joback Calculated Property
Tc	1076.08	K	Joback Calculated Property
Tfus	536.85	K	Joback Calculated Property
Vc	0.979	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[912.89; 1073.36]	J/mol×K	[830.68; 1076.08]
Cp,gas	912.89	J/mol×K	830.68	Joback Calculated Property
Cp,gas	939.50	J/mol×K	871.58	Joback Calculated Property
Cp,gas	965.71	J/mol×K	912.48	Joback Calculated Property
Cp,gas	991.87	J/mol×K	953.38	Joback Calculated Property
Cp,gas	1018.30	J/mol×K	994.28	Joback Calculated Property
Cp,gas	1045.36	J/mol×K	1035.18	Joback Calculated Property
Cp,gas	1073.36	J/mol×K	1076.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5«beta»,17«alpha»-Dihydroepitestosterone methanoate.

Sources

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

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