Chemical Properties of Androstane-3,17-dione, (5«beta»)- (CAS 1229-12-5)

InChI

InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14?,15?,16?,18?,19?/m0/s1

InChI Key

RAJWOBJTTGJROA-PLFHKJOISA-N

Formula

C19H28O2

SMILES

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

Molecular Weight¹

288.42

CAS

1229-12-5

Other Names

• 5«beta»-Androstane-3,17-dione
• Etiocholane-3,17-dione
• Etiocholanedione
• Etiochola-3,17-dione

• 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).
• 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°	20.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-460.69	kJ/mol	Joback Calculated Property
ΔfusH°	15.57	kJ/mol	Joback Calculated Property
ΔvapH°	63.97	kJ/mol	Joback Calculated Property
log10WS	-4.46		Crippen Calculated Property
logPoct/wat	4.167		Crippen Calculated Property
McVol	238.270	ml/mol	McGowan Calculated Property
Pc	1885.44	kPa	Joback Calculated Property
Tboil	809.21	K	Joback Calculated Property
Tc	1073.00	K	Joback Calculated Property
Tfus	[401.00; 458.00]	K
Tfus	458.00 ± 5.00	K	NIST
Tfus	401.00 ± 5.00	K	NIST
Tfus	405.00 ± 6.00	K	NIST
Vc	0.895	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[834.08; 1001.55]	J/mol×K	[809.21; 1073.00]
Cp,gas	834.08	J/mol×K	809.21	Joback Calculated Property
Cp,gas	862.01	J/mol×K	853.18	Joback Calculated Property
Cp,gas	889.40	J/mol×K	897.14	Joback Calculated Property
Cp,gas	916.66	J/mol×K	941.11	Joback Calculated Property
Cp,gas	944.17	J/mol×K	985.07	Joback Calculated Property
Cp,gas	972.33	J/mol×K	1029.04	Joback Calculated Property
Cp,gas	1001.55	J/mol×K	1073.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Androstane-3,17-dione, (5«beta»)-.

Sources

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

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