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

InChI

InChI=1S/C23H24F4O4/c1-2-3-4-5-6-9-12-30-22(28)16-10-7-8-11-17(16)23(29)31-14-15-13-18(24)20(26)21(27)19(15)25/h7-8,10-11,13H,2-6,9,12,14H2,1H3

InChI Key

NVRVALZMIOYJLQ-UHFFFAOYSA-N

Formula

C23H24F4O4

SMILES

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

Molecular Weight¹

440.43

• 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	1.0774		Relay (... Calculated Property
ΔfG°	-927.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-1305.66	kJ/mol	Relay (... Calculated Property
ΔfusH°	59.36	kJ/mol	Joback Calculated Property
ΔvapH°	107.67	kJ/mol	Relay (... Calculated Property
IE	9.13	eV	Relay (... Calculated Property
log10WS	-7.85		Relay (... Calculated Property
logPoct/wat	6.117		Crippen Calculated Property
McVol	309.370	ml/mol	McGowan Calculated Property
Pc	1167.22	kPa	Joback Calculated Property
Inp	[2618.00; 2618.00]
Inp	2618.00		NIST
Inp	2618.00		NIST
Tboil	665.58	K	Relay (... Calculated Property
Tc	885.92	K	Relay (... Calculated Property
Tfus	289.01	K	Relay (... Calculated Property
Vc	1.151	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[980.65; 1038.10]	J/mol×K	[953.56; 1168.12]
Cp,gas	980.65	J/mol×K	953.56	Joback Calculated Property
Cp,gas	993.43	J/mol×K	989.32	Joback Calculated Property
Cp,gas	1004.89	J/mol×K	1025.08	Joback Calculated Property
Cp,gas	1015.07	J/mol×K	1060.84	Joback Calculated Property
Cp,gas	1023.98	J/mol×K	1096.60	Joback Calculated Property
Cp,gas	1031.65	J/mol×K	1132.36	Joback Calculated Property
Cp,gas	1038.10	J/mol×K	1168.12	Joback Calculated Property

Similar Compounds

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

Sources

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

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