Chemical Properties of Sebacic acid, ethyl 2,3,6-trifluorobenzyl ester

InChI

InChI=1S/C19H25F3O4/c1-2-25-17(23)9-7-5-3-4-6-8-10-18(24)26-13-14-15(20)11-12-16(21)19(14)22/h11-12H,2-10,13H2,1H3

InChI Key

LUDPAZCUTSTKQV-UHFFFAOYSA-N

Formula

C19H25F3O4

SMILES

CCOC(=O)CCCCCCCCC(=O)OCc1c(F)ccc(F)c1F

Molecular Weight¹

374.39

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.9641		Relay (1.0) Calculated Property
ΔfG°	-859.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-1329.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.65	kJ/mol	Joback Calculated Property
ΔvapH°	103.20	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-5.87		Relay (1.0) Calculated Property
logPoct/wat	4.831		Crippen Calculated Property
McVol	275.000	ml/mol	McGowan Calculated Property
Pc	1276.42	kPa	Joback Calculated Property
Inp	[2337.00; 2337.00]
Inp	2337.00		NIST
Inp	2337.00		NIST
Tboil	619.49	K	Relay (1.0) Calculated Property
Tc	801.45	K	Relay (1.0) Calculated Property
Tfus	313.37	K	Relay (1.0) Calculated Property
Vc	1.040	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[839.99; 913.09]	J/mol×K	[826.13; 1016.34]
Cp,gas	839.99	J/mol×K	826.13	Joback Calculated Property
Cp,gas	854.60	J/mol×K	857.83	Joback Calculated Property
Cp,gas	868.22	J/mol×K	889.53	Joback Calculated Property
Cp,gas	880.87	J/mol×K	921.23	Joback Calculated Property
Cp,gas	892.56	J/mol×K	952.94	Joback Calculated Property
Cp,gas	903.29	J/mol×K	984.64	Joback Calculated Property
Cp,gas	913.09	J/mol×K	1016.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, ethyl 2,3,6-trifluorobenzyl ester.

Sources

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

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