Chemical Properties of Stigmastanol, pentafluoropropionate

InChI

InChI=1S/C32H51F5O2/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(39-28(38)31(33,34)32(35,36)37)14-16-29(22,5)27(24)15-17-30(25,26)6/h19-27H,7-18H2,1-6H3

InChI Key

DSZLEQOIFPKYAL-UHFFFAOYSA-N

Formula

C32H51F5O2

SMILES

CCC(CCC(C)C1CCC2C3CCC4CC(OC(=O)C(F)(F)C(F)(F)F)CCC4(C)C3CCC12C)C(C)C

Molecular Weight¹

562.74

• 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°	-850.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-1752.98	kJ/mol	Joback Calculated Property
ΔfusH°	45.15	kJ/mol	Joback Calculated Property
ΔvapH°	85.11	kJ/mol	Joback Calculated Property
log10WS	-10.33		Crippen Calculated Property
logPoct/wat	9.853		Crippen Calculated Property
McVol	434.590	ml/mol	McGowan Calculated Property
Pc	691.07	kPa	Joback Calculated Property
Inp	[3158.50; 3158.50]
Inp	3158.50		NIST
Inp	3158.50		NIST
Tboil	1026.53	K	Joback Calculated Property
Tc	1256.78	K	Joback Calculated Property
Tfus	570.35	K	Joback Calculated Property
Vc	1.681	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1710.92; 1946.74]	J/mol×K	[1026.53; 1256.78]
Cp,gas	1710.92	J/mol×K	1026.53	Joback Calculated Property
Cp,gas	1746.35	J/mol×K	1064.90	Joback Calculated Property
Cp,gas	1782.78	J/mol×K	1103.28	Joback Calculated Property
Cp,gas	1820.63	J/mol×K	1141.65	Joback Calculated Property
Cp,gas	1860.30	J/mol×K	1180.03	Joback Calculated Property
Cp,gas	1902.20	J/mol×K	1218.40	Joback Calculated Property
Cp,gas	1946.74	J/mol×K	1256.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Stigmastanol, pentafluoropropionate.

Sources

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

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