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

InChI

InChI=1S/C30H46F4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-37-26(35)19-18-20-27(36)38-23-24-22-25(31)29(33)30(34)28(24)32/h22H,2-21,23H2,1H3

InChI Key

BYRBTPGWKPEDMR-UHFFFAOYSA-N

Formula

C30H46F4O4

SMILES

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

Molecular Weight¹

546.68

• 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°	-971.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-1745.92	kJ/mol	Joback Calculated Property
ΔfusH°	83.83	kJ/mol	Joback Calculated Property
ΔvapH°	102.34	kJ/mol	Joback Calculated Property
log10WS	-11.03		Crippen Calculated Property
logPoct/wat	9.261		Crippen Calculated Property
McVol	431.760	ml/mol	McGowan Calculated Property
Pc	652.43	kPa	Joback Calculated Property
Inp	[3462.00; 3462.00]
Inp	3462.00		NIST
Inp	3462.00		NIST
Tboil	1082.06	K	Joback Calculated Property
Tc	1368.83	K	Joback Calculated Property
Tfus	651.04	K	Joback Calculated Property
Vc	1.728	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1520.03; 1597.20]	J/mol×K	[1082.06; 1368.83]
Cp,gas	1520.03	J/mol×K	1082.06	Joback Calculated Property
Cp,gas	1539.53	J/mol×K	1129.86	Joback Calculated Property
Cp,gas	1556.24	J/mol×K	1177.65	Joback Calculated Property
Cp,gas	1570.25	J/mol×K	1225.45	Joback Calculated Property
Cp,gas	1581.67	J/mol×K	1273.24	Joback Calculated Property
Cp,gas	1590.62	J/mol×K	1321.04	Joback Calculated Property
Cp,gas	1597.20	J/mol×K	1368.83	Joback Calculated Property

Similar Compounds

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

Sources

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

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