Chemical Properties of Isophthalic acid, 3,5-difluorophenyl ethyl ester

InChI

InChI=1S/C16H12F2O4/c1-2-21-15(19)10-4-3-5-11(6-10)16(20)22-14-8-12(17)7-13(18)9-14/h3-9H,2H2,1H3

InChI Key

GBBMJODBYZUDSI-UHFFFAOYSA-N

Formula

C16H12F2O4

SMILES

CCOC(=O)c1cccc(C(=O)Oc2cc(F)cc(F)c2)c1

Molecular Weight¹

306.26

• 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°	-577.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-816.74	kJ/mol	Joback Calculated Property
ΔfusH°	35.84	kJ/mol	Joback Calculated Property
ΔvapH°	74.43	kJ/mol	Joback Calculated Property
log10WS	-4.88		Crippen Calculated Property
logPoct/wat	3.361		Crippen Calculated Property
McVol	207.200	ml/mol	McGowan Calculated Property
Pc	2193.84	kPa	Joback Calculated Property
Inp	[2135.00; 2135.00]
Inp	2135.00		NIST
Inp	2135.00		NIST
Tboil	784.90	K	Joback Calculated Property
Tc	1004.79	K	Joback Calculated Property
Tfus	505.98	K	Joback Calculated Property
Vc	0.799	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[571.14; 628.66]	J/mol×K	[784.90; 1004.79]
Cp,gas	571.14	J/mol×K	784.90	Joback Calculated Property
Cp,gas	583.27	J/mol×K	821.55	Joback Calculated Property
Cp,gas	594.37	J/mol×K	858.20	Joback Calculated Property
Cp,gas	604.45	J/mol×K	894.84	Joback Calculated Property
Cp,gas	613.52	J/mol×K	931.49	Joback Calculated Property
Cp,gas	621.58	J/mol×K	968.14	Joback Calculated Property
Cp,gas	628.66	J/mol×K	1004.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 3,5-difluorophenyl ethyl ester.

Sources

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

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