Chemical Properties of Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl heptyl ester

InChI

InChI=1S/C19H21F7O4/c1-2-3-4-5-6-11-29-15(27)13-7-9-14(10-8-13)16(28)30-12-17(20,21)18(22,23)19(24,25)26/h7-10H,2-6,11-12H2,1H3

InChI Key

CINBXKODVMVBDY-UHFFFAOYSA-N

Formula

C19H21F7O4

SMILES

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

Molecular Weight¹

446.36

• 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	0.9731		Relay (... Calculated Property
ΔfG°	-1611.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-2245.26	kJ/mol	Relay (... Calculated Property
ΔfusH°	43.51	kJ/mol	Joback Calculated Property
ΔvapH°	92.93	kJ/mol	Relay (... Calculated Property
IE	9.91	eV	Relay (... Calculated Property
log10WS	-7.14		Relay (... Calculated Property
logPoct/wat	5.803		Crippen Calculated Property
McVol	282.080	ml/mol	McGowan Calculated Property
Pc	1195.65	kPa	Joback Calculated Property
Inp	[2122.00; 2122.00]
Inp	2122.00		NIST
Inp	2122.00		NIST
Tboil	611.77	K	Relay (... Calculated Property
Tc	748.48	K	Relay (... Calculated Property
Tfus	286.61	K	Relay (... Calculated Property
Vc	1.052	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[875.80; 943.81]	J/mol×K	[803.56; 989.27]
Cp,gas	875.80	J/mol×K	803.56	Joback Calculated Property
Cp,gas	889.26	J/mol×K	834.51	Joback Calculated Property
Cp,gas	901.80	J/mol×K	865.46	Joback Calculated Property
Cp,gas	913.46	J/mol×K	896.41	Joback Calculated Property
Cp,gas	924.30	J/mol×K	927.37	Joback Calculated Property
Cp,gas	934.40	J/mol×K	958.32	Joback Calculated Property
Cp,gas	943.81	J/mol×K	989.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl heptyl ester.

Sources

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

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