Chemical Properties of Phthalic acid, nonyl 2,4,5-trifluorobenzyl ester

InChI

InChI=1S/C24H27F3O4/c1-2-3-4-5-6-7-10-13-30-23(28)18-11-8-9-12-19(18)24(29)31-16-17-14-21(26)22(27)15-20(17)25/h8-9,11-12,14-15H,2-7,10,13,16H2,1H3

InChI Key

ALMYYRJSFAMUDO-UHFFFAOYSA-N

Formula

C24H27F3O4

SMILES

CCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1cc(F)c(F)cc1F

Molecular Weight¹

436.46

• 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°	-714.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1189.44	kJ/mol	Joback Calculated Property
ΔfusH°	59.26	kJ/mol	Joback Calculated Property
ΔvapH°	92.08	kJ/mol	Joback Calculated Property
log10WS	-8.41		Crippen Calculated Property
logPoct/wat	6.368		Crippen Calculated Property
McVol	321.690	ml/mol	McGowan Calculated Property
Pc	1139.03	kPa	Joback Calculated Property
Inp	[2964.00; 2964.00]
Inp	2964.00		NIST
Inp	2964.00		NIST
Tboil	972.19	K	Joback Calculated Property
Tc	1190.84	K	Joback Calculated Property
Tfus	609.25	K	Joback Calculated Property
Vc	1.266	m3/kmol	Joback 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 Phthalic acid, nonyl 2,4,5-trifluorobenzyl ester.

Sources

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

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