Chemical Properties of Terephthalic acid, 2,2,3,3,3-pentafluoropropyl propyl ester

InChI

InChI=1S/C14H13F5O4/c1-2-7-22-11(20)9-3-5-10(6-4-9)12(21)23-8-13(15,16)14(17,18)19/h3-6H,2,7-8H2,1H3

InChI Key

AOMWBJGKIVQCRD-UHFFFAOYSA-N

Formula

C14H13F5O4

SMILES

CCCOC(=O)c1ccc(C(=O)OCC(F)(F)C(F)(F)F)cc1

Molecular Weight¹

340.24

• 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°	-1266.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-1594.88	kJ/mol	Joback Calculated Property
ΔfusH°	31.81	kJ/mol	Joback Calculated Property
ΔvapH°	61.33	kJ/mol	Joback Calculated Property
log10WS	-4.61		Crippen Calculated Property
logPoct/wat	3.608		Crippen Calculated Property
McVol	208.090	ml/mol	McGowan Calculated Property
Pc	1824.72	kPa	Joback Calculated Property
Inp	[1692.00; 1692.00]
Inp	1692.00		NIST
Inp	1692.00		NIST
Tboil	693.85	K	Joback Calculated Property
Tc	881.31	K	Joback Calculated Property
Tfus	438.59	K	Joback Calculated Property
Vc	0.828	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[585.07; 646.98]	J/mol×K	[693.85; 881.31]
Cp,gas	585.07	J/mol×K	693.85	Joback Calculated Property
Cp,gas	597.38	J/mol×K	725.09	Joback Calculated Property
Cp,gas	608.84	J/mol×K	756.34	Joback Calculated Property
Cp,gas	619.50	J/mol×K	787.58	Joback Calculated Property
Cp,gas	629.38	J/mol×K	818.83	Joback Calculated Property
Cp,gas	638.53	J/mol×K	850.07	Joback Calculated Property
Cp,gas	646.98	J/mol×K	881.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 2,2,3,3,3-pentafluoropropyl propyl ester.

Sources

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

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