Chemical Properties of Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl propyl ester

InChI

InChI=1S/C19H16F4O4/c1-2-10-26-17(24)12-6-8-13(9-7-12)18(25)27-11-14-15(19(21,22)23)4-3-5-16(14)20/h3-9H,2,10-11H2,1H3

InChI Key

DTQSTEKYSSRZKH-UHFFFAOYSA-N

Formula

C19H16F4O4

SMILES

CCCOC(=O)c1ccc(C(=O)OCc2c(F)cccc2C(F)(F)F)cc1

Molecular Weight¹

384.32

• 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°	-939.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-1279.63	kJ/mol	Joback Calculated Property
ΔfusH°	42.36	kJ/mol	Joback Calculated Property
ΔvapH°	78.17	kJ/mol	Joback Calculated Property
log10WS	-6.34		Crippen Calculated Property
logPoct/wat	4.768		Crippen Calculated Property
McVol	253.010	ml/mol	McGowan Calculated Property
Pc	1607.71	kPa	Joback Calculated Property
Inp	[2698.00; 2698.00]
Inp	2698.00		NIST
Inp	2698.00		NIST
Tboil	848.85	K	Joback Calculated Property
Tc	1058.55	K	Joback Calculated Property
Tfus	543.39	K	Joback Calculated Property
Vc	0.993	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[753.01; 810.88]	J/mol×K	[848.85; 1058.55]
Cp,gas	753.01	J/mol×K	848.85	Joback Calculated Property
Cp,gas	765.15	J/mol×K	883.80	Joback Calculated Property
Cp,gas	776.24	J/mol×K	918.75	Joback Calculated Property
Cp,gas	786.31	J/mol×K	953.70	Joback Calculated Property
Cp,gas	795.42	J/mol×K	988.65	Joback Calculated Property
Cp,gas	803.59	J/mol×K	1023.60	Joback Calculated Property
Cp,gas	810.88	J/mol×K	1058.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl propyl ester.

Sources

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

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