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

InChI

InChI=1S/C27H45F7O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23(35)37-2)38-24(36)25(28,29)26(30,31)27(32,33)34/h22H,3-21H2,1-2H3

InChI Key

JBLKXFRSPSLDPU-UHFFFAOYSA-N

Formula

C27H45F7O4

SMILES

CCCCCCCCCCCCCCCCCCCCC(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OC

Molecular Weight¹

566.63

• 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°	-1648.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-2494.51	kJ/mol	Joback Calculated Property
ΔfusH°	67.05	kJ/mol	Joback Calculated Property
ΔvapH°	84.01	kJ/mol	Joback Calculated Property
log10WS	-10.25		Crippen Calculated Property
logPoct/wat	9.336		Crippen Calculated Property
McVol	418.560	ml/mol	McGowan Calculated Property
Pc	635.12	kPa	Joback Calculated Property
Inp	[2564.00; 2564.00]
Inp	2564.00		NIST
Inp	2564.00		NIST
Tboil	954.50	K	Joback Calculated Property
Tc	1192.73	K	Joback Calculated Property
Tfus	534.76	K	Joback Calculated Property
Vc	1.683	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1456.79; 1567.14]	J/mol×K	[954.50; 1192.73]
Cp,gas	1456.79	J/mol×K	954.50	Joback Calculated Property
Cp,gas	1478.70	J/mol×K	994.20	Joback Calculated Property
Cp,gas	1498.99	J/mol×K	1033.91	Joback Calculated Property
Cp,gas	1517.81	J/mol×K	1073.61	Joback Calculated Property
Cp,gas	1535.33	J/mol×K	1113.32	Joback Calculated Property
Cp,gas	1551.72	J/mol×K	1153.02	Joback Calculated Property
Cp,gas	1567.14	J/mol×K	1192.73	Joback Calculated Property

Similar Compounds

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

Sources

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

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