Chemical Properties of «alpha»-Hydroxystearic acid, HFB-Me

InChI

InChI=1S/C23H37F7O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19(31)33-2)34-20(32)21(24,25)22(26,27)23(28,29)30/h18H,3-17H2,1-2H3

InChI Key

KEYQLGZMFHOTEW-UHFFFAOYSA-N

Formula

C23H37F7O4

SMILES

CCCCCCCCCCCCCCCCC(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OC

Molecular Weight¹

510.53

• 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°	-1682.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-2411.95	kJ/mol	Joback Calculated Property
ΔfusH°	56.69	kJ/mol	Joback Calculated Property
ΔvapH°	75.11	kJ/mol	Joback Calculated Property
log10WS	-8.58		Crippen Calculated Property
logPoct/wat	7.776		Crippen Calculated Property
McVol	362.200	ml/mol	McGowan Calculated Property
Pc	778.51	kPa	Joback Calculated Property
Inp	[2185.00; 2185.00]
Inp	2185.00		NIST
Inp	2185.00		NIST
Tboil	862.98	K	Joback Calculated Property
Tc	1060.18	K	Joback Calculated Property
Tfus	489.68	K	Joback Calculated Property
Vc	1.458	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1206.35; 1300.22]	J/mol×K	[862.98; 1060.18]
Cp,gas	1206.35	J/mol×K	862.98	Joback Calculated Property
Cp,gas	1224.71	J/mol×K	895.85	Joback Calculated Property
Cp,gas	1241.88	J/mol×K	928.71	Joback Calculated Property
Cp,gas	1257.93	J/mol×K	961.58	Joback Calculated Property
Cp,gas	1272.95	J/mol×K	994.44	Joback Calculated Property
Cp,gas	1287.02	J/mol×K	1027.31	Joback Calculated Property
Cp,gas	1300.22	J/mol×K	1060.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Hydroxystearic acid, HFB-Me.

Sources

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

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