Chemical Properties of Succinic acid, 1-(2,6-difluorophenyl)ethyl tridecyl ester

InChI

InChI=1S/C25H38F2O4/c1-3-4-5-6-7-8-9-10-11-12-13-19-30-23(28)17-18-24(29)31-20(2)25-21(26)15-14-16-22(25)27/h14-16,20H,3-13,17-19H2,1-2H3

InChI Key

DZILCIHWYAGELE-UHFFFAOYSA-N

Formula

C25H38F2O4

SMILES

CCCCCCCCCCCCCOC(=O)CCC(=O)OC(C)c1c(F)cccc1F

Molecular Weight¹

440.56

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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
ΔfusH°	65.14	kJ/mol	Joback Calculated Property
ΔvapH°	121.82	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.10		Relay (1.0) Calculated Property
logPoct/wat	7.203		Crippen Calculated Property
McVol	357.770	ml/mol	McGowan Calculated Property
Pc	870.68	kPa	Joback Calculated Property
Inp	[2832.00; 2832.00]
Inp	2832.00		NIST
Inp	2832.00		NIST
Tboil	650.02	K	Relay (1.0) Calculated Property
Tc	850.69	K	Relay (1.0) Calculated Property
Tfus	320.58	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, 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	[532.43; 1215.39]	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			3.61740e+01
Coefficient B			2.10084e+00
Coefficient C			-1.08012e-03
Coefficient D			1.58500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	532.43	J/mol×K	273.00	Calculated Property
Cp,gas	651.24	J/mol×K	353.78	Calculated Property
Cp,gas	758.14	J/mol×K	434.56	Calculated Property
Cp,gas	853.65	J/mol×K	515.33	Calculated Property
Cp,gas	938.26	J/mol×K	596.11	Calculated Property
Cp,gas	1012.48	J/mol×K	676.89	Calculated Property
Cp,gas	1076.80	J/mol×K	757.67	Calculated Property
Cp,gas	1131.72	J/mol×K	838.44	Calculated Property
Cp,gas	1177.75	J/mol×K	919.22	Calculated Property
Cp,gas	1215.39	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1-(2,6-difluorophenyl)ethyl tridecyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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