Chemical Properties of Trans-androsterone, butyrate

InChI

InChI=1S/C23H36O3/c1-4-5-21(25)26-16-10-12-22(2)15(14-16)6-7-17-18-8-9-20(24)23(18,3)13-11-19(17)22/h15-19H,4-14H2,1-3H3

InChI Key

ZBPQBCXWLUSWGS-UHFFFAOYSA-N

Formula

C23H36O3

SMILES

CCCC(=O)OC1CCC2(C)C(CCC3C4CCC(=O)C4(C)CCC32)C1

Molecular Weight¹

360.53

• 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	0.6330		Relay (1.0) Calculated Property
ΔfG°	-65.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-737.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.28	kJ/mol	Joback Calculated Property
ΔvapH°	110.27	kJ/mol	Relay (1.0) Calculated Property
IE	8.77	eV	Relay (1.0) Calculated Property
log10WS	-5.45		Relay (1.0) Calculated Property
logPoct/wat	5.310		Crippen Calculated Property
McVol	300.500	ml/mol	McGowan Calculated Property
Pc	1362.64	kPa	Joback Calculated Property
Inp	[2467.00; 2467.00]
Inp	2467.00		NIST
Inp	2467.00		NIST
Tboil	661.08	K	Relay (1.0) Calculated Property
Tc	944.67	K	Relay (1.0) Calculated Property
Tfus	390.59	K	Relay (1.0) Calculated Property
Vc	1.084	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1106.74; 1283.39]	J/mol×K	[904.53; 1143.14]
Cp,gas	1106.74	J/mol×K	904.53	Joback Calculated Property
Cp,gas	1135.18	J/mol×K	944.30	Joback Calculated Property
Cp,gas	1163.60	J/mol×K	984.07	Joback Calculated Property
Cp,gas	1192.31	J/mol×K	1023.83	Joback Calculated Property
Cp,gas	1221.63	J/mol×K	1063.60	Joback Calculated Property
Cp,gas	1251.89	J/mol×K	1103.37	Joback Calculated Property
Cp,gas	1283.39	J/mol×K	1143.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Trans-androsterone, butyrate.

Sources

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

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