Chemical Properties of Phthalic acid, decyl 2-trifluorobenzyl ester

InChI

InChI=1S/C26H31F3O4/c1-2-3-4-5-6-7-8-13-18-32-24(30)21-15-10-11-16-22(21)25(31)33-19-20-14-9-12-17-23(20)26(27,28)29/h9-12,14-17H,2-8,13,18-19H2,1H3

InChI Key

OLDVWIPNYRDFCZ-UHFFFAOYSA-N

Formula

C26H31F3O4

SMILES

CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1C(F)(F)F

Molecular Weight¹

464.52

• 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°	-675.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-1216.53	kJ/mol	Joback Calculated Property
ΔfusH°	57.80	kJ/mol	Joback Calculated Property
ΔvapH°	93.91	kJ/mol	Joback Calculated Property
log10WS	-8.94		Crippen Calculated Property
logPoct/wat	7.360		Crippen Calculated Property
McVol	349.870	ml/mol	McGowan Calculated Property
Pc	1036.57	kPa	Joback Calculated Property
Inp	[2910.00; 2910.00]
Inp	2910.00		NIST
Inp	2910.00		NIST
Tboil	1004.76	K	Joback Calculated Property
Tc	1230.18	K	Joback Calculated Property
Tfus	609.17	K	Joback Calculated Property
Vc	1.367	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1157.15; 1223.16]	J/mol×K	[1004.76; 1230.18]
Cp,gas	1157.15	J/mol×K	1004.76	Joback Calculated Property
Cp,gas	1171.17	J/mol×K	1042.33	Joback Calculated Property
Cp,gas	1183.87	J/mol×K	1079.90	Joback Calculated Property
Cp,gas	1195.34	J/mol×K	1117.47	Joback Calculated Property
Cp,gas	1205.65	J/mol×K	1155.04	Joback Calculated Property
Cp,gas	1214.90	J/mol×K	1192.61	Joback Calculated Property
Cp,gas	1223.16	J/mol×K	1230.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, decyl 2-trifluorobenzyl ester.

Sources

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

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