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

InChI

InChI=1S/C16H19F3O4/c1-3-4-5-10-22-14(20)12-6-8-13(9-7-12)15(21)23-11(2)16(17,18)19/h6-9,11H,3-5,10H2,1-2H3

InChI Key

RYXODIUCNJLQEZ-UHFFFAOYSA-N

Formula

C16H19F3O4

SMILES

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

Molecular Weight¹

332.31

• 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°	-865.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-1240.47	kJ/mol	Joback Calculated Property
ΔfusH°	34.72	kJ/mol	Joback Calculated Property
ΔvapH°	68.33	kJ/mol	Joback Calculated Property
log10WS	-5.24		Crippen Calculated Property
logPoct/wat	4.141		Crippen Calculated Property
McVol	232.730	ml/mol	McGowan Calculated Property
Pc	1660.55	kPa	Joback Calculated Property
Inp	[2047.00; 2047.00]
Inp	2047.00		NIST
Inp	2047.00		NIST
Tboil	743.86	K	Joback Calculated Property
Tc	936.95	K	Joback Calculated Property
Tfus	442.53	K	Joback Calculated Property
Vc	0.908	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[674.38; 744.90]	J/mol×K	[743.86; 936.95]
Cp,gas	674.38	J/mol×K	743.86	Joback Calculated Property
Cp,gas	688.37	J/mol×K	776.04	Joback Calculated Property
Cp,gas	701.42	J/mol×K	808.22	Joback Calculated Property
Cp,gas	713.57	J/mol×K	840.41	Joback Calculated Property
Cp,gas	724.85	J/mol×K	872.59	Joback Calculated Property
Cp,gas	735.28	J/mol×K	904.77	Joback Calculated Property
Cp,gas	744.90	J/mol×K	936.95	Joback Calculated Property

Similar Compounds

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

Sources

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

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