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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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
ω	0.7746		Relay (1.0) Calculated Property
ΔfH°gas	-1757.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.98	kJ/mol	Joback Calculated Property
ΔvapH°	78.49	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.30		Relay (1.0) Calculated Property
logPoct/wat	3.608		Crippen Calculated Property
McVol	208.090	ml/mol	McGowan Calculated Property
Pc	1703.31	kPa	Joback Calculated Property
Inp	[1692.00; 1692.00]
Inp	1692.00		NIST
Inp	1692.00		NIST
Tboil	560.29	K	Relay (1.0) Calculated Property
Tc	701.55	K	Relay (1.0) Calculated Property
Tfus	295.91	K	Relay (1.0) Calculated Property
Vc	0.769	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[576.26; 640.58]	J/mol×K	[657.91; 840.77]
Cp,gas	576.26	J/mol×K	657.91	Joback Calculated Property
Cp,gas	589.17	J/mol×K	688.39	Joback Calculated Property
Cp,gas	601.16	J/mol×K	718.86	Joback Calculated Property
Cp,gas	612.25	J/mol×K	749.34	Joback Calculated Property
Cp,gas	622.50	J/mol×K	779.82	Joback Calculated Property
Cp,gas	631.93	J/mol×K	810.29	Joback Calculated Property
Cp,gas	640.58	J/mol×K	840.77	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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