Chemical Properties of Terephthalic acid, 1-(pentafluorophenyl)ethyl pentyl ester

InChI

InChI=1S/C21H19F5O4/c1-3-4-5-10-29-20(27)12-6-8-13(9-7-12)21(28)30-11(2)14-15(22)17(24)19(26)18(25)16(14)23/h6-9,11H,3-5,10H2,1-2H3

InChI Key

SGZCYCBMTZJYNX-UHFFFAOYSA-N

Formula

C21H19F5O4

SMILES

CCCCCOC(=O)c1ccc(C(=O)OC(C)c2c(F)c(F)c(F)c(F)c2F)cc1

Molecular Weight¹

430.37

• 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°	-1151.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1547.96	kJ/mol	Joback Calculated Property
ΔfusH°	53.34	kJ/mol	Joback Calculated Property
ΔvapH°	84.70	kJ/mol	Joback Calculated Property
log10WS	-7.78		Crippen Calculated Property
logPoct/wat	5.647		Crippen Calculated Property
McVol	282.960	ml/mol	McGowan Calculated Property
Pc	1287.44	kPa	Joback Calculated Property
Inp	[2550.00; 2550.00]
Inp	2550.00		NIST
Inp	2550.00		NIST
Tboil	911.61	K	Joback Calculated Property
Tc	1119.49	K	Joback Calculated Property
Tfus	586.66	K	Joback Calculated Property
Vc	1.127	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[870.01; 924.72]	J/mol×K	[911.61; 1119.49]
Cp,gas	870.01	J/mol×K	911.61	Joback Calculated Property
Cp,gas	882.04	J/mol×K	946.26	Joback Calculated Property
Cp,gas	892.89	J/mol×K	980.90	Joback Calculated Property
Cp,gas	902.58	J/mol×K	1015.55	Joback Calculated Property
Cp,gas	911.10	J/mol×K	1050.20	Joback Calculated Property
Cp,gas	918.48	J/mol×K	1084.85	Joback Calculated Property
Cp,gas	924.72	J/mol×K	1119.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 1-(pentafluorophenyl)ethyl pentyl ester.

Sources

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

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