Chemical Properties of 5«beta»-Pregn-8-ene-3«alpha»,20«alpha»-diol

InChI

InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-15,17-18,22-23H,4-12H2,1-3H3/t13-,14+,15+,17?,18?,20?,21?/m1/s1

InChI Key

CVXRELSVEQTOQH-VDDUQTHDSA-N

Formula

C21H34O2

SMILES

CC(O)C1CCC2C3=C(CCC21C)C1(C)CCC(O)CC1CC3

Molecular Weight¹

318.49

• 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°	16.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-501.47	kJ/mol	Joback Calculated Property
ΔfusH°	26.83	kJ/mol	Joback Calculated Property
ΔvapH°	94.52	kJ/mol	Joback Calculated Property
log10WS	-5.59		Crippen Calculated Property
logPoct/wat	4.451		Crippen Calculated Property
McVol	270.750	ml/mol	McGowan Calculated Property
Pc	1784.86	kPa	Joback Calculated Property
Inp	[2741.00; 2741.00]
Inp	2741.00		NIST
Inp	2741.00		NIST
Tboil	912.37	K	Joback Calculated Property
Tc	1130.79	K	Joback Calculated Property
Tfus	552.35	K	Joback Calculated Property
Vc	1.012	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[999.40; 1159.60]	J/mol×K	[912.37; 1130.79]
Cp,gas	999.40	J/mol×K	912.37	Joback Calculated Property
Cp,gas	1023.77	J/mol×K	948.77	Joback Calculated Property
Cp,gas	1048.69	J/mol×K	985.18	Joback Calculated Property
Cp,gas	1074.44	J/mol×K	1021.58	Joback Calculated Property
Cp,gas	1101.32	J/mol×K	1057.98	Joback Calculated Property
Cp,gas	1129.61	J/mol×K	1094.38	Joback Calculated Property
Cp,gas	1159.60	J/mol×K	1130.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5«beta»-Pregn-8-ene-3«alpha»,20«alpha»-diol.

Sources

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

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