Chemical Properties of 5-«alpha»-Androst-9(11)-ene-3-«alpha»,17-«beta»-diol, HFB

InChI

InChI=1S/C27H28F14O4/c1-20-9-7-13(44-18(42)22(28,29)24(32,33)26(36,37)38)11-12(20)3-4-14-15-5-6-17(21(15,2)10-8-16(14)20)45-19(43)23(30,31)25(34,35)27(39,40)41/h8,12-15,17H,3-7,9-11H2,1-2H3/t12-,13+,14?,15?,17-,20-,21-/m1/s1

InChI Key

XQMYIOXCUSXDDA-QFESBSSESA-N

Formula

C27H28F14O4

SMILES

CC12CCC(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)CC1CCC1C2=CCC2(C)C(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC12

Molecular Weight¹

682.49

• 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°	-2832.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-3612.08	kJ/mol	Joback Calculated Property
ΔfusH°	43.39	kJ/mol	Joback Calculated Property
ΔvapH°	73.03	kJ/mol	Joback Calculated Property
log10WS	-9.88		Crippen Calculated Property
logPoct/wat	8.439		Crippen Calculated Property
McVol	383.210	ml/mol	McGowan Calculated Property
Pc	781.56	kPa	Joback Calculated Property
Inp	[2320.00; 2349.00]
Inp	2349.00		NIST
Inp	2320.00		NIST
Tboil	979.06	K	Joback Calculated Property
Tc	1199.41	K	Joback Calculated Property
Tfus	663.67	K	Joback Calculated Property
Vc	1.548	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1448.45; 1632.13]	J/mol×K	[979.06; 1199.41]
Cp,gas	1448.45	J/mol×K	979.06	Joback Calculated Property
Cp,gas	1474.64	J/mol×K	1015.78	Joback Calculated Property
Cp,gas	1502.03	J/mol×K	1052.51	Joback Calculated Property
Cp,gas	1531.05	J/mol×K	1089.23	Joback Calculated Property
Cp,gas	1562.13	J/mol×K	1125.96	Joback Calculated Property
Cp,gas	1595.68	J/mol×K	1162.68	Joback Calculated Property
Cp,gas	1632.13	J/mol×K	1199.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-«alpha»-Androst-9(11)-ene-3-«alpha»,17-«beta»-diol, HFB.

Sources

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

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