Chemical Properties of Terephthalic acid, butyl 2,3,4-trifluorophenyl ester

InChI

InChI=1S/C18H15F3O4/c1-2-3-10-24-17(22)11-4-6-12(7-5-11)18(23)25-14-9-8-13(19)15(20)16(14)21/h4-9H,2-3,10H2,1H3

InChI Key

IEDKWUCDFNDVGY-UHFFFAOYSA-N

Formula

C18H15F3O4

SMILES

CCCCOC(=O)c1ccc(C(=O)Oc2ccc(F)c(F)c2F)cc1

Molecular Weight¹

352.30

• 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°	-765.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-1065.60	kJ/mol	Joback Calculated Property
ΔfusH°	43.72	kJ/mol	Joback Calculated Property
ΔvapH°	78.72	kJ/mol	Joback Calculated Property
log10WS	-6.05		Crippen Calculated Property
logPoct/wat	4.280		Crippen Calculated Property
McVol	237.150	ml/mol	McGowan Calculated Property
Pc	1755.07	kPa	Joback Calculated Property
Inp	[2511.00; 2511.00]
Inp	2511.00		NIST
Inp	2511.00		NIST
Tboil	834.91	K	Joback Calculated Property
Tc	1045.07	K	Joback Calculated Property
Tfus	541.63	K	Joback Calculated Property
Vc	0.929	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[686.90; 744.21]	J/mol×K	[834.91; 1045.07]
Cp,gas	686.90	J/mol×K	834.91	Joback Calculated Property
Cp,gas	699.03	J/mol×K	869.94	Joback Calculated Property
Cp,gas	710.11	J/mol×K	904.96	Joback Calculated Property
Cp,gas	720.16	J/mol×K	939.99	Joback Calculated Property
Cp,gas	729.18	J/mol×K	975.02	Joback Calculated Property
Cp,gas	737.20	J/mol×K	1010.04	Joback Calculated Property
Cp,gas	744.21	J/mol×K	1045.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, butyl 2,3,4-trifluorophenyl ester.

Sources

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

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