Chemical Properties of Succinic acid, 2,5-difluorobenzyl hexadecyl ester

InChI

InChI=1S/C27H42F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-32-26(30)18-19-27(31)33-22-23-21-24(28)16-17-25(23)29/h16-17,21H,2-15,18-20,22H2,1H3

InChI Key

FUTSQOLHJVLRAA-UHFFFAOYSA-N

Formula

C27H42F2O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCC(=O)OCc1cc(F)ccc1F

Molecular Weight¹

468.62

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1321.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	73.85	kJ/mol	Joback Calculated Property
ΔvapH°	132.74	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.02		Relay (1.0) Calculated Property
logPoct/wat	7.813		Crippen Calculated Property
McVol	385.950	ml/mol	McGowan Calculated Property
Pc	776.34	kPa	Joback Calculated Property
Inp	[3111.00; 3111.00]
Inp	3111.00		NIST
Inp	3111.00		NIST
Tboil	680.95	K	Relay (1.0) Calculated Property
Tc	872.59	K	Relay (1.0) Calculated Property
Tfus	313.75	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[575.17; 1318.04]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.60380e+01
Coefficient B			2.28492e+00
Coefficient C			-1.18572e-03
Coefficient D			1.82800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	575.17	J/mol×K	273.00	Calculated Property
Cp,gas	704.08	J/mol×K	353.78	Calculated Property
Cp,gas	820.05	J/mol×K	434.56	Calculated Property
Cp,gas	923.66	J/mol×K	515.33	Calculated Property
Cp,gas	1015.48	J/mol×K	596.11	Calculated Property
Cp,gas	1096.10	J/mol×K	676.89	Calculated Property
Cp,gas	1166.08	J/mol×K	757.67	Calculated Property
Cp,gas	1226.01	J/mol×K	838.44	Calculated Property
Cp,gas	1276.47	J/mol×K	919.22	Calculated Property
Cp,gas	1318.04	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,5-difluorobenzyl hexadecyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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