Chemical Properties of Terephthalic acid, decyl 2,3,4-trifluorophenyl ester

InChI

InChI=1S/C24H27F3O4/c1-2-3-4-5-6-7-8-9-16-30-23(28)17-10-12-18(13-11-17)24(29)31-20-15-14-19(25)21(26)22(20)27/h10-15H,2-9,16H2,1H3

InChI Key

SMWSVVQOROZWFM-UHFFFAOYSA-N

Formula

C24H27F3O4

SMILES

CCCCCCCCCCOC(=O)c1ccc(C(=O)Oc2ccc(F)c(F)c2F)cc1

Molecular Weight¹

436.46

• 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	1.1394		Relay (1.0) Calculated Property
ΔfG°	-714.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1190.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.26	kJ/mol	Joback Calculated Property
ΔvapH°	118.21	kJ/mol	Relay (1.0) Calculated Property
IE	9.10	eV	Relay (1.0) Calculated Property
log10WS	-7.85		Relay (1.0) Calculated Property
logPoct/wat	6.621		Crippen Calculated Property
McVol	321.690	ml/mol	McGowan Calculated Property
Pc	1139.03	kPa	Joback Calculated Property
Inp	[2189.00; 2189.00]
Inp	2189.00		NIST
Inp	2189.00		NIST
Tboil	678.13	K	Relay (1.0) Calculated Property
Tc	900.86	K	Relay (1.0) Calculated Property
Tfus	318.98	K	Relay (1.0) Calculated Property
Vc	1.200	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1034.30; 1093.95]	J/mol×K	[972.19; 1190.84]
Cp,gas	1034.30	J/mol×K	972.19	Joback Calculated Property
Cp,gas	1047.57	J/mol×K	1008.63	Joback Calculated Property
Cp,gas	1059.46	J/mol×K	1045.07	Joback Calculated Property
Cp,gas	1070.01	J/mol×K	1081.52	Joback Calculated Property
Cp,gas	1079.26	J/mol×K	1117.96	Joback Calculated Property
Cp,gas	1087.22	J/mol×K	1154.40	Joback Calculated Property
Cp,gas	1093.95	J/mol×K	1190.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, decyl 2,3,4-trifluorophenyl ester.

Sources

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

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