Chemical Properties of 5«beta»,17«beta»-Dihydrotestosterone heptanoate

InChI

InChI=1S/C26H42O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h18,20-23H,4-17H2,1-3H3/t18-,20?,21?,22?,23+,25+,26+/m0/s1

InChI Key

DDYHAKNCTGGYOK-LGJDMPKCSA-N

Formula

C26H42O3

SMILES

CCCCCCC(=O)OC1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C

Molecular Weight¹

402.61

• 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	0.7578		Relay (1.0) Calculated Property
ΔfG°	-40.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-797.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.05	kJ/mol	Joback Calculated Property
ΔvapH°	119.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-6.30		Relay (1.0) Calculated Property
logPoct/wat	6.480		Crippen Calculated Property
McVol	342.770	ml/mol	McGowan Calculated Property
Pc	1113.34	kPa	Joback Calculated Property
Inp	[3141.03; 3141.03]
Inp	3141.03		NIST
Inp	3141.03		NIST
Tboil	689.74	K	Relay (1.0) Calculated Property
Tc	976.59	K	Relay (1.0) Calculated Property
Tfus	387.09	K	Relay (1.0) Calculated Property
Vc	1.241	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1308.77; 1503.80]	J/mol×K	[973.17; 1207.14]
Cp,gas	1308.77	J/mol×K	973.17	Joback Calculated Property
Cp,gas	1339.40	J/mol×K	1012.17	Joback Calculated Property
Cp,gas	1370.37	J/mol×K	1051.16	Joback Calculated Property
Cp,gas	1401.98	J/mol×K	1090.16	Joback Calculated Property
Cp,gas	1434.54	J/mol×K	1129.15	Joback Calculated Property
Cp,gas	1468.38	J/mol×K	1168.15	Joback Calculated Property
Cp,gas	1503.80	J/mol×K	1207.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5«beta»,17«beta»-Dihydrotestosterone heptanoate.

Sources

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

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