Chemical Properties of Epitostanol

InChI

InChI=1S/C19H30OS/c1-18-8-7-14-12(13(18)5-6-17(18)20)4-3-11-9-15-16(21-15)10-19(11,14)2/h11-17,20H,3-10H2,1-2H3

InChI Key

OBMLHUPNRURLOK-UHFFFAOYSA-N

Formula

C19H30OS

SMILES

CC12CCC3C(CCC4CC5SC5CC43C)C1CCC2O

Molecular Weight¹

306.51

Other Names

• epitiostanol

• 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°	237.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-247.82	kJ/mol	Joback Calculated Property
ΔfusH°	28.77	kJ/mol	Joback Calculated Property
ΔvapH°	76.92	kJ/mol	Joback Calculated Property
log10WS	[-5.41; -5.41]
log10WS	-5.41		Aq. Sol...
log10WS	-5.41		Estimat...
logPoct/wat	4.484		Crippen Calculated Property
McVol	246.490	ml/mol	McGowan Calculated Property
Pc	1935.54	kPa	Joback Calculated Property
Tboil	802.44	K	Joback Calculated Property
Tc	1035.43	K	Joback Calculated Property
Tfus	558.14	K	Joback Calculated Property
Vc	0.917	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[862.16; 1015.46]	J/mol×K	[802.44; 1035.43]
Cp,gas	862.16	J/mol×K	802.44	Joback Calculated Property
Cp,gas	886.61	J/mol×K	841.27	Joback Calculated Property
Cp,gas	910.97	J/mol×K	880.10	Joback Calculated Property
Cp,gas	935.65	J/mol×K	918.93	Joback Calculated Property
Cp,gas	961.02	J/mol×K	957.76	Joback Calculated Property
Cp,gas	987.49	J/mol×K	996.59	Joback Calculated Property
Cp,gas	1015.46	J/mol×K	1035.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Epitostanol.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method

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