Chemical Properties of 5-«alpha»-Androstan-7-«alpha»,17-«beta»-diol, TFA

InChI

InChI=1S/C23H30F6O4/c1-20-9-4-3-5-12(20)11-15(32-18(30)22(24,25)26)17-13-6-7-16(33-19(31)23(27,28)29)21(13,2)10-8-14(17)20/h12-17H,3-11H2,1-2H3/t12-,13?,14?,15-,16+,17?,20+,21+/m0/s1

InChI Key

OWCJLRGLNDSHFQ-XLBPANAUSA-N

Formula

C23H30F6O4

SMILES

CC12CCCCC1CC(OC(=O)C(F)(F)F)C1C2CCC2(C)C(OC(=O)C(F)(F)F)CCC12

Molecular Weight¹

484.47

• 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	0.6138		Relay (... Calculated Property
ΔfG°	-1347.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-2080.59	kJ/mol	Relay (... Calculated Property
ΔfusH°	38.28	kJ/mol	Joback Calculated Property
ΔvapH°	111.80	kJ/mol	Relay (... Calculated Property
IE	9.71	eV	Relay (... Calculated Property
log10WS	-6.65		Relay (... Calculated Property
logPoct/wat	5.977		Crippen Calculated Property
McVol	316.990	ml/mol	McGowan Calculated Property
Pc	1139.03	kPa	Joback Calculated Property
Inp	[2154.00; 2158.00]
Inp	2154.00		NIST
Inp	2158.00		NIST
Tboil	639.31	K	Relay (... Calculated Property
Tc	887.92	K	Relay (... Calculated Property
Tfus	384.87	K	Relay (... Calculated Property
Vc	1.169	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1166.32; 1315.58]	J/mol×K	[897.49; 1110.56]
Cp,gas	1166.32	J/mol×K	897.49	Joback Calculated Property
Cp,gas	1190.15	J/mol×K	933.00	Joback Calculated Property
Cp,gas	1214.03	J/mol×K	968.51	Joback Calculated Property
Cp,gas	1238.23	J/mol×K	1004.03	Joback Calculated Property
Cp,gas	1263.04	J/mol×K	1039.54	Joback Calculated Property
Cp,gas	1288.73	J/mol×K	1075.05	Joback Calculated Property
Cp,gas	1315.58	J/mol×K	1110.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-«alpha»-Androstan-7-«alpha»,17-«beta»-diol, TFA.

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.