Chemical Properties of Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl pentadecyl ester

InChI

InChI=1S/C27H40F4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-34-25(32)18-19-26(33)35-21-22-23(27(29,30)31)16-15-17-24(22)28/h15-17H,2-14,18-21H2,1H3

InChI Key

SWTYRDLTXYWRSI-UHFFFAOYSA-N

Formula

C27H40F4O4

SMILES

CCCCCCCCCCCCCCCOC(=O)CCC(=O)OCc1c(F)cccc1C(F)(F)F

Molecular Weight¹

504.60

• 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°	-974.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-1669.81	kJ/mol	Joback Calculated Property
ΔfusH°	69.43	kJ/mol	Joback Calculated Property
ΔvapH°	93.04	kJ/mol	Joback Calculated Property
log10WS	-9.46		Crippen Calculated Property
logPoct/wat	8.302		Crippen Calculated Property
McVol	389.490	ml/mol	McGowan Calculated Property
Pc	781.12	kPa	Joback Calculated Property
Inp	[3008.00; 3008.00]
Inp	3008.00		NIST
Inp	3008.00		NIST
Tboil	1000.23	K	Joback Calculated Property
Tc	1234.50	K	Joback Calculated Property
Tfus	594.61	K	Joback Calculated Property
Vc	1.548	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1332.58; 1416.99]	J/mol×K	[1000.23; 1234.50]
Cp,gas	1332.58	J/mol×K	1000.23	Joback Calculated Property
Cp,gas	1350.41	J/mol×K	1039.28	Joback Calculated Property
Cp,gas	1366.62	J/mol×K	1078.32	Joback Calculated Property
Cp,gas	1381.29	J/mol×K	1117.37	Joback Calculated Property
Cp,gas	1394.51	J/mol×K	1156.41	Joback Calculated Property
Cp,gas	1406.38	J/mol×K	1195.46	Joback Calculated Property
Cp,gas	1416.99	J/mol×K	1234.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl pentadecyl ester.

Sources

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

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