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

InChI

InChI=1S/C28H47F7O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24(36)38-2)39-25(37)26(29,30)27(31,32)28(33,34)35/h23H,3-22H2,1-2H3

InChI Key

GBFVMFJLGCUPOZ-UHFFFAOYSA-N

Formula

C28H47F7O4

SMILES

CCCCCCCCCCCCCCCCCCCCCC(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OC

Molecular Weight¹

580.66

• 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°	-1640.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-2515.15	kJ/mol	Joback Calculated Property
ΔfusH°	69.64	kJ/mol	Joback Calculated Property
ΔvapH°	86.24	kJ/mol	Joback Calculated Property
log10WS	-10.67		Crippen Calculated Property
logPoct/wat	9.726		Crippen Calculated Property
McVol	432.650	ml/mol	McGowan Calculated Property
Pc	605.47	kPa	Joback Calculated Property
Inp	[2658.00; 2658.00]
Inp	2658.00		NIST
Inp	2658.00		NIST
Tboil	977.38	K	Joback Calculated Property
Tc	1229.33	K	Joback Calculated Property
Tfus	546.03	K	Joback Calculated Property
Vc	1.738	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1520.71; 1636.41]	J/mol×K	[977.38; 1229.33]
Cp,gas	1520.71	J/mol×K	977.38	Joback Calculated Property
Cp,gas	1543.75	J/mol×K	1019.37	Joback Calculated Property
Cp,gas	1565.02	J/mol×K	1061.36	Joback Calculated Property
Cp,gas	1584.72	J/mol×K	1103.36	Joback Calculated Property
Cp,gas	1603.05	J/mol×K	1145.35	Joback Calculated Property
Cp,gas	1620.21	J/mol×K	1187.34	Joback Calculated Property
Cp,gas	1636.41	J/mol×K	1229.33	Joback Calculated Property

Similar Compounds

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

Sources

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

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