Chemical Properties of 2,4-Difluorobenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester

InChI

InChI=1S/C22H18F2O3/c1-14(15-6-4-3-5-7-15)19-13-17(26-2)9-11-21(19)27-22(25)18-10-8-16(23)12-20(18)24/h3-14H,1-2H3

InChI Key

PEGGDUBVPDHLLC-UHFFFAOYSA-N

Formula

C22H18F2O3

SMILES

COc1ccc(OC(=O)c2ccc(F)cc2F)c(C(C)c2ccccc2)c1

Molecular Weight¹

368.37

• 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	0.7903		Relay (... Calculated Property
ΔfG°	-297.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-612.16	kJ/mol	Relay (... Calculated Property
ΔfusH°	39.91	kJ/mol	Joback Calculated Property
ΔvapH°	115.59	kJ/mol	Relay (... Calculated Property
IE	8.01	eV	Relay (... Calculated Property
log10WS	-6.30		Relay (... Calculated Property
logPoct/wat	5.344		Crippen Calculated Property
McVol	266.410	ml/mol	McGowan Calculated Property
Pc	1665.97	kPa	Joback Calculated Property
Inp	[2595.00; 2595.00]
Inp	2595.00		NIST
Inp	2595.00		NIST
Tboil	678.21	K	Relay (... Calculated Property
Tc	969.37	K	Relay (... Calculated Property
Tfus	340.11	K	Relay (... Calculated Property
Vc	0.959	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[796.11; 855.35]	J/mol×K	[899.53; 1134.12]
Cp,gas	796.11	J/mol×K	899.53	Joback Calculated Property
Cp,gas	809.33	J/mol×K	938.63	Joback Calculated Property
Cp,gas	821.16	J/mol×K	977.73	Joback Calculated Property
Cp,gas	831.63	J/mol×K	1016.83	Joback Calculated Property
Cp,gas	840.79	J/mol×K	1055.92	Joback Calculated Property
Cp,gas	848.69	J/mol×K	1095.02	Joback Calculated Property
Cp,gas	855.35	J/mol×K	1134.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Difluorobenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester.

Sources

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

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