Chemical Properties of Glutaric acid, hexadecyl 2,3,4,5-tetrafluorobenzyl ester

InChI

InChI=1S/C28H42F4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-35-24(33)17-16-18-25(34)36-21-22-20-23(29)27(31)28(32)26(22)30/h20H,2-19,21H2,1H3

InChI Key

OBYJGIOTLDEOTQ-UHFFFAOYSA-N

Formula

C28H42F4O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OCc1cc(F)c(F)c(F)c1F

Molecular Weight¹

518.62

• 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°	-988.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-1704.64	kJ/mol	Joback Calculated Property
ΔfusH°	78.66	kJ/mol	Joback Calculated Property
ΔvapH°	97.89	kJ/mol	Joback Calculated Property
log10WS	-10.19		Crippen Calculated Property
logPoct/wat	8.481		Crippen Calculated Property
McVol	403.580	ml/mol	McGowan Calculated Property
Pc	721.46	kPa	Joback Calculated Property
Inp	[3258.00; 3258.00]
Inp	3258.00		NIST
Inp	3258.00		NIST
Tboil	1036.30	K	Joback Calculated Property
Tc	1293.22	K	Joback Calculated Property
Tfus	628.50	K	Joback Calculated Property
Vc	1.615	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1393.90; 1472.30]	J/mol×K	[1036.30; 1293.22]
Cp,gas	1393.90	J/mol×K	1036.30	Joback Calculated Property
Cp,gas	1412.31	J/mol×K	1079.12	Joback Calculated Property
Cp,gas	1428.49	J/mol×K	1121.94	Joback Calculated Property
Cp,gas	1442.51	J/mol×K	1164.76	Joback Calculated Property
Cp,gas	1454.44	J/mol×K	1207.58	Joback Calculated Property
Cp,gas	1464.35	J/mol×K	1250.40	Joback Calculated Property
Cp,gas	1472.30	J/mol×K	1293.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hexadecyl 2,3,4,5-tetrafluorobenzyl ester.

Sources

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

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