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

InChI

InChI=1S/C31H53F7O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27(39)41-2)42-28(40)29(32,33)30(34,35)31(36,37)38/h26H,3-25H2,1-2H3

InChI Key

FBBMARXQNWWHNY-UHFFFAOYSA-N

Formula

C31H53F7O4

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OC

Molecular Weight¹

622.74

• 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°	-1615.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-2577.07	kJ/mol	Joback Calculated Property
ΔfusH°	77.41	kJ/mol	Joback Calculated Property
ΔvapH°	92.92	kJ/mol	Joback Calculated Property
log10WS	-11.93		Crippen Calculated Property
logPoct/wat	10.896		Crippen Calculated Property
McVol	474.920	ml/mol	McGowan Calculated Property
Pc	527.99	kPa	Joback Calculated Property
Inp	[2946.00; 2946.00]
Inp	2946.00		NIST
Inp	2946.00		NIST
Tboil	1046.02	K	Joback Calculated Property
Tc	1349.51	K	Joback Calculated Property
Tfus	579.84	K	Joback Calculated Property
Vc	1.907	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1715.12; 1851.59]	J/mol×K	[1046.02; 1349.51]
Cp,gas	1715.12	J/mol×K	1046.02	Joback Calculated Property
Cp,gas	1742.28	J/mol×K	1096.60	Joback Calculated Property
Cp,gas	1767.17	J/mol×K	1147.18	Joback Calculated Property
Cp,gas	1790.17	J/mol×K	1197.77	Joback Calculated Property
Cp,gas	1811.65	J/mol×K	1248.35	Joback Calculated Property
Cp,gas	1832.00	J/mol×K	1298.93	Joback Calculated Property
Cp,gas	1851.59	J/mol×K	1349.51	Joback Calculated Property

Similar Compounds

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

Sources

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

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