Chemical Properties of Succinic acid, octadecyl 2,3,6-trifluorobenzyl ester

InChI

InChI=1S/C29H45F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-35-27(33)20-21-28(34)36-23-24-25(30)18-19-26(31)29(24)32/h18-19H,2-17,20-23H2,1H3

InChI Key

CODFIVFUVQDGBN-UHFFFAOYSA-N

Formula

C29H45F3O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCC(=O)OCc1c(F)ccc(F)c1F

Molecular Weight¹

514.66

• 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°	-775.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-1517.70	kJ/mol	Joback Calculated Property
ΔfusH°	78.55	kJ/mol	Joback Calculated Property
ΔvapH°	100.27	kJ/mol	Joback Calculated Property
log10WS	-10.28		Crippen Calculated Property
logPoct/wat	8.732		Crippen Calculated Property
McVol	415.900	ml/mol	McGowan Calculated Property
Pc	707.71	kPa	Joback Calculated Property
Inp	[3312.00; 3312.00]
Inp	3312.00		NIST
Inp	3312.00		NIST
Tboil	1054.93	K	Joback Calculated Property
Tc	1317.17	K	Joback Calculated Property
Tfus	626.66	K	Joback Calculated Property
Vc	1.653	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1451.16; 1531.64]	J/mol×K	[1054.93; 1317.17]
Cp,gas	1451.16	J/mol×K	1054.93	Joback Calculated Property
Cp,gas	1470.02	J/mol×K	1098.64	Joback Calculated Property
Cp,gas	1486.59	J/mol×K	1142.34	Joback Calculated Property
Cp,gas	1500.94	J/mol×K	1186.05	Joback Calculated Property
Cp,gas	1513.18	J/mol×K	1229.76	Joback Calculated Property
Cp,gas	1523.38	J/mol×K	1273.47	Joback Calculated Property
Cp,gas	1531.64	J/mol×K	1317.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, octadecyl 2,3,6-trifluorobenzyl ester.

Sources

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

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