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

InChI

InChI=1S/C16H17F5O4/c1-2-3-4-9-24-13(22)11-5-7-12(8-6-11)14(23)25-10-15(17,18)16(19,20)21/h5-8H,2-4,9-10H2,1H3

InChI Key

SUVYUVYOFPBVJJ-UHFFFAOYSA-N

Formula

C16H17F5O4

SMILES

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

Molecular Weight¹

368.30

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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	0.8561		Relay (... Calculated Property
ΔfG°	-1249.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-1793.50	kJ/mol	Relay (... Calculated Property
ΔfusH°	36.99	kJ/mol	Joback Calculated Property
ΔvapH°	83.41	kJ/mol	Relay (... Calculated Property
IE	10.08	eV	Relay (... Calculated Property
log10WS	-5.93		Relay (... Calculated Property
logPoct/wat	4.388		Crippen Calculated Property
McVol	236.270	ml/mol	McGowan Calculated Property
Pc	1558.58	kPa	Joback Calculated Property
Inp	[1889.00; 1889.00]
Inp	1889.00		NIST
Inp	1889.00		NIST
Tboil	580.91	K	Relay (... Calculated Property
Tc	725.40	K	Relay (... Calculated Property
Tfus	297.38	K	Relay (... Calculated Property
Vc	0.873	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[691.63; 757.61]	J/mol×K	[739.61; 925.84]
Cp,gas	691.63	J/mol×K	739.61	Joback Calculated Property
Cp,gas	704.70	J/mol×K	770.65	Joback Calculated Property
Cp,gas	716.89	J/mol×K	801.69	Joback Calculated Property
Cp,gas	728.24	J/mol×K	832.73	Joback Calculated Property
Cp,gas	738.78	J/mol×K	863.77	Joback Calculated Property
Cp,gas	748.56	J/mol×K	894.80	Joback Calculated Property
Cp,gas	757.61	J/mol×K	925.84	Joback Calculated Property

Similar Compounds

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

Sources

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

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