Chemical Properties of 4,4-Dimethyl, 5a-,13a-androst-8-ene

InChI

InChI=1S/C21H34/c1-19(2)11-6-13-21(4)17-10-14-20(3)12-5-7-16(20)15(17)8-9-18(19)21/h8,16-18H,5-7,9-14H2,1-4H3/t16?,17?,18-,20+,21+/m1/s1

InChI Key

DBSZBNWAWKHPIG-XKVYSMAXSA-N

Formula

C21H34

SMILES

CC1(C)CCCC2(C)C3CCC4(C)CCCC4C3=CCC12

Molecular Weight¹

286.49

• 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°	296.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-165.02	kJ/mol	Joback Calculated Property
ΔfusH°	16.27	kJ/mol	Joback Calculated Property
ΔvapH°	59.73	kJ/mol	Joback Calculated Property
log10WS	-6.60		Crippen Calculated Property
logPoct/wat	6.366		Crippen Calculated Property
McVol	259.010	ml/mol	McGowan Calculated Property
Pc	1601.28	kPa	Joback Calculated Property
Inp	[2428.00; 2428.00]
Inp	2428.00		NIST
Inp	2428.00		NIST
Inp	2428.00		NIST
Tboil	723.71	K	Joback Calculated Property
Tc	968.95	K	Joback Calculated Property
Tfus	457.09	K	Joback Calculated Property
Vc	0.978	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[833.00; 1006.69]	J/mol×K	[723.71; 968.95]
Cp,gas	833.00	J/mol×K	723.71	Joback Calculated Property
Cp,gas	861.71	J/mol×K	764.58	Joback Calculated Property
Cp,gas	889.81	J/mol×K	805.46	Joback Calculated Property
Cp,gas	917.82	J/mol×K	846.33	Joback Calculated Property
Cp,gas	946.28	J/mol×K	887.21	Joback Calculated Property
Cp,gas	975.73	J/mol×K	928.08	Joback Calculated Property
Cp,gas	1006.69	J/mol×K	968.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4,4-Dimethyl, 5a-,13a-androst-8-ene.

Sources

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

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