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

InChI

InChI=1S/C26H40F2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-20-31-24(29)18-19-25(30)32-21(2)26-22(27)16-15-17-23(26)28/h15-17,21H,3-14,18-20H2,1-2H3

InChI Key

ZBXIDZGGYGAPPJ-UHFFFAOYSA-N

Formula

C26H40F2O4

SMILES

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

Molecular Weight¹

454.60

• 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°	67.73	kJ/mol	Joback Calculated Property
ΔvapH°	125.72	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.37		Relay (1.0) Calculated Property
logPoct/wat	7.593		Crippen Calculated Property
McVol	371.860	ml/mol	McGowan Calculated Property
Pc	823.37	kPa	Joback Calculated Property
Inp	[2929.00; 2929.00]
Inp	2929.00		NIST
Inp	2929.00		NIST
Tboil	657.05	K	Relay (1.0) Calculated Property
Tc	857.99	K	Relay (1.0) Calculated Property
Tfus	322.51	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1241.32; 1321.59]	J/mol×K	[945.66; 1159.16]
Cp,gas	1241.32	J/mol×K	945.66	Joback Calculated Property
Cp,gas	1258.55	J/mol×K	981.24	Joback Calculated Property
Cp,gas	1274.18	J/mol×K	1016.83	Joback Calculated Property
Cp,gas	1288.25	J/mol×K	1052.41	Joback Calculated Property
Cp,gas	1300.82	J/mol×K	1087.99	Joback Calculated Property
Cp,gas	1311.91	J/mol×K	1123.58	Joback Calculated Property
Cp,gas	1321.59	J/mol×K	1159.16	Joback Calculated Property

Similar Compounds

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