Chemical Properties of Terephthalic acid, nonyl 2,2,2-trifluoroethyl ester

InChI

InChI=1S/C19H25F3O4/c1-2-3-4-5-6-7-8-13-25-17(23)15-9-11-16(12-10-15)18(24)26-14-19(20,21)22/h9-12H,2-8,13-14H2,1H3

InChI Key

WPOFGPQHIIKISJ-UHFFFAOYSA-N

Formula

C19H25F3O4

SMILES

CCCCCCCCCOC(=O)c1ccc(C(=O)OCC(F)(F)F)cc1

Molecular Weight¹

374.39

• 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°	-837.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-1297.11	kJ/mol	Joback Calculated Property
ΔfusH°	46.02	kJ/mol	Joback Calculated Property
ΔvapH°	75.39	kJ/mol	Joback Calculated Property
log10WS	-6.39		Crippen Calculated Property
logPoct/wat	5.313		Crippen Calculated Property
McVol	275.000	ml/mol	McGowan Calculated Property
Pc	1322.31	kPa	Joback Calculated Property
Inp	[2433.00; 2433.00]
Inp	2433.00		NIST
Inp	2433.00		NIST
Tboil	812.94	K	Joback Calculated Property
Tc	1004.64	K	Joback Calculated Property
Tfus	491.34	K	Joback Calculated Property
Vc	1.083	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[842.80; 917.13]	J/mol×K	[812.94; 1004.64]
Cp,gas	842.80	J/mol×K	812.94	Joback Calculated Property
Cp,gas	857.56	J/mol×K	844.89	Joback Calculated Property
Cp,gas	871.33	J/mol×K	876.84	Joback Calculated Property
Cp,gas	884.14	J/mol×K	908.79	Joback Calculated Property
Cp,gas	896.01	J/mol×K	940.74	Joback Calculated Property
Cp,gas	907.00	J/mol×K	972.69	Joback Calculated Property
Cp,gas	917.13	J/mol×K	1004.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, nonyl 2,2,2-trifluoroethyl ester.

Sources

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

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