Chemical Properties of Phthalic acid, dodecyl 2,3,4,5-tetrafluorobenzyl ester

InChI

InChI=1S/C27H32F4O4/c1-2-3-4-5-6-7-8-9-10-13-16-34-26(32)20-14-11-12-15-21(20)27(33)35-18-19-17-22(28)24(30)25(31)23(19)29/h11-12,14-15,17H,2-10,13,16,18H2,1H3

InChI Key

IJINWXMTIYHXKO-UHFFFAOYSA-N

Formula

C27H32F4O4

SMILES

CCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1cc(F)c(F)c(F)c1F

Molecular Weight¹

496.53

• 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°	-893.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-1458.94	kJ/mol	Joback Calculated Property
ΔfusH°	69.72	kJ/mol	Joback Calculated Property
ΔvapH°	98.60	kJ/mol	Joback Calculated Property
log10WS	-10.00		Crippen Calculated Property
logPoct/wat	7.678		Crippen Calculated Property
McVol	365.730	ml/mol	McGowan Calculated Property
Pc	912.18	kPa	Joback Calculated Property
Inp	[3025.00; 3025.00]
Inp	3025.00		NIST
Inp	3025.00		NIST
Tboil	1045.08	K	Joback Calculated Property
Tc	1283.97	K	Joback Calculated Property
Tfus	656.17	K	Joback Calculated Property
Vc	1.452	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1220.91; 1277.21]	J/mol×K	[1045.08; 1283.97]
Cp,gas	1220.91	J/mol×K	1045.08	Joback Calculated Property
Cp,gas	1234.49	J/mol×K	1084.90	Joback Calculated Property
Cp,gas	1246.33	J/mol×K	1124.71	Joback Calculated Property
Cp,gas	1256.47	J/mol×K	1164.53	Joback Calculated Property
Cp,gas	1264.97	J/mol×K	1204.34	Joback Calculated Property
Cp,gas	1271.87	J/mol×K	1244.16	Joback Calculated Property
Cp,gas	1277.21	J/mol×K	1283.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, dodecyl 2,3,4,5-tetrafluorobenzyl ester.

Sources

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

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