Chemical Properties of Phthalic acid, di(2,5-difluorobenzyl) ester

InChI

InChI=1S/C22H14F4O4/c23-15-5-7-19(25)13(9-15)11-29-21(27)17-3-1-2-4-18(17)22(28)30-12-14-10-16(24)6-8-20(14)26/h1-10H,11-12H2

InChI Key

HBMSUTAWAGBVIX-UHFFFAOYSA-N

Formula

C22H14F4O4

SMILES

O=C(OCc1cc(F)ccc1F)c1ccccc1C(=O)OCc1cc(F)ccc1F

Molecular Weight¹

418.34

• 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°	-823.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-1119.21	kJ/mol	Joback Calculated Property
ΔfusH°	50.81	kJ/mol	Joback Calculated Property
ΔvapH°	89.75	kJ/mol	Joback Calculated Property
log10WS	-7.50		Crippen Calculated Property
logPoct/wat	4.957		Crippen Calculated Property
McVol	271.520	ml/mol	McGowan Calculated Property
Pc	1600.00	kPa	Joback Calculated Property
Inp	[2620.00; 2620.00]
Inp	2620.00		NIST
Inp	2620.00		NIST
Tboil	957.36	K	Joback Calculated Property
Tc	1184.98	K	Joback Calculated Property
Tfus	626.24	K	Joback Calculated Property
Vc	1.063	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[815.77; 856.85]	J/mol×K	[957.36; 1184.98]
Cp,gas	815.77	J/mol×K	957.36	Joback Calculated Property
Cp,gas	825.73	J/mol×K	995.30	Joback Calculated Property
Cp,gas	834.40	J/mol×K	1033.23	Joback Calculated Property
Cp,gas	841.81	J/mol×K	1071.17	Joback Calculated Property
Cp,gas	848.01	J/mol×K	1109.11	Joback Calculated Property
Cp,gas	853.01	J/mol×K	1147.04	Joback Calculated Property
Cp,gas	856.85	J/mol×K	1184.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, di(2,5-difluorobenzyl) ester.

Sources

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

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