Chemical Properties of Terephthalic acid, butyl 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C15H17F3O4/c1-3-4-9-21-13(19)11-5-7-12(8-6-11)14(20)22-10(2)15(16,17)18/h5-8,10H,3-4,9H2,1-2H3

InChI Key

AWDXPJBKAXOPIY-UHFFFAOYSA-N

Formula

C15H17F3O4

SMILES

CCCCOC(=O)c1ccc(C(=O)OC(C)C(F)(F)F)cc1

Molecular Weight¹

318.29

• 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°	-873.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-1219.83	kJ/mol	Joback Calculated Property
ΔfusH°	32.13	kJ/mol	Joback Calculated Property
ΔvapH°	66.10	kJ/mol	Joback Calculated Property
log10WS	-4.82		Crippen Calculated Property
logPoct/wat	3.751		Crippen Calculated Property
McVol	218.640	ml/mol	McGowan Calculated Property
Pc	1798.51	kPa	Joback Calculated Property
Inp	[1947.00; 1947.00]
Inp	1947.00		NIST
Inp	1947.00		NIST
Tboil	720.98	K	Joback Calculated Property
Tc	915.14	K	Joback Calculated Property
Tfus	431.26	K	Joback Calculated Property
Vc	0.853	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[620.09; 688.88]	J/mol×K	[720.98; 915.14]
Cp,gas	620.09	J/mol×K	720.98	Joback Calculated Property
Cp,gas	633.73	J/mol×K	753.34	Joback Calculated Property
Cp,gas	646.46	J/mol×K	785.70	Joback Calculated Property
Cp,gas	658.31	J/mol×K	818.06	Joback Calculated Property
Cp,gas	669.32	J/mol×K	850.42	Joback Calculated Property
Cp,gas	679.50	J/mol×K	882.78	Joback Calculated Property
Cp,gas	688.88	J/mol×K	915.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, butyl 1,1,1-trifluoroprop-2-yl ester.

Sources

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

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