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

• 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).
• 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	0.5304		Relay (1.0) Calculated Property
ΔfG°	237.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-323.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.77	kJ/mol	Joback Calculated Property
ΔvapH°	123.39	kJ/mol	Relay (1.0) Calculated Property
IE	8.29	eV	Relay (1.0) Calculated Property
log10WS	[-5.41; -5.41]
log10WS	-5.41		Aq. Solubility Prediction
log10WS	-5.41		Estimated Solubility
logPoct/wat	4.484		Crippen Calculated Property
McVol	246.490	ml/mol	McGowan Calculated Property
Pc	1935.54	kPa	Joback Calculated Property
Tboil	651.25	K	Relay (1.0) Calculated Property
Tc	949.94	K	Relay (1.0) Calculated Property
Tfus	481.67	K	Relay (1.0) Calculated Property
Vc	0.930	m3/kmol	Relay (1.0) 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

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method

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.