Chemical Properties of Trans-androsterone, 4-chlorobutyrate

InChI

InChI=1S/C23H35ClO3/c1-22-11-9-16(27-21(26)4-3-13-24)14-15(22)5-6-17-18-7-8-20(25)23(18,2)12-10-19(17)22/h15-19H,3-14H2,1-2H3

InChI Key

CXIUHMPDEUPPPV-UHFFFAOYSA-N

Formula

C23H35ClO3

SMILES

CC12CCC3C(CCC4CC(OC(=O)CCCCl)CCC43C)C1CCC2=O

Molecular Weight¹

394.98

• 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	0.6767		Relay (1.0) Calculated Property
ΔfG°	-77.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-774.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.48	kJ/mol	Joback Calculated Property
ΔvapH°	117.92	kJ/mol	Relay (1.0) Calculated Property
IE	9.04	eV	Relay (1.0) Calculated Property
log10WS	-5.75		Relay (1.0) Calculated Property
logPoct/wat	5.529		Crippen Calculated Property
McVol	312.740	ml/mol	McGowan Calculated Property
Pc	1326.17	kPa	Joback Calculated Property
Inp	[2673.00; 2673.00]
Inp	2673.00		NIST
Inp	2673.00		NIST
Tboil	678.95	K	Relay (1.0) Calculated Property
Tc	976.71	K	Relay (1.0) Calculated Property
Tfus	396.23	K	Relay (1.0) Calculated Property
Vc	1.109	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1142.21; 1324.20]	J/mol×K	[941.96; 1183.48]
Cp,gas	1142.21	J/mol×K	941.96	Joback Calculated Property
Cp,gas	1170.67	J/mol×K	982.21	Joback Calculated Property
Cp,gas	1199.43	J/mol×K	1022.47	Joback Calculated Property
Cp,gas	1228.83	J/mol×K	1062.72	Joback Calculated Property
Cp,gas	1259.21	J/mol×K	1102.97	Joback Calculated Property
Cp,gas	1290.88	J/mol×K	1143.22	Joback Calculated Property
Cp,gas	1324.20	J/mol×K	1183.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to Trans-androsterone, 4-chlorobutyrate.

Sources

• Cheméo Relay (1.0)
• 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.