Chemical Properties of Isophthalic acid, monochloride, 3-fluorophenyl ester

InChI

InChI=1S/C14H8ClFO3/c15-13(17)9-3-1-4-10(7-9)14(18)19-12-6-2-5-11(16)8-12/h1-8H

InChI Key

UOLGUVXLXFDAMO-UHFFFAOYSA-N

Formula

C14H8ClFO3

SMILES

O=C(Cl)c1cccc(C(=O)Oc2cccc(F)c2)c1

Molecular Weight¹

278.66

• 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°	-297.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-451.40	kJ/mol	Joback Calculated Property
ΔfusH°	30.98	kJ/mol	Joback Calculated Property
ΔvapH°	72.10	kJ/mol	Joback Calculated Property
log10WS	-4.78		Crippen Calculated Property
logPoct/wat	3.424		Crippen Calculated Property
McVol	183.620	ml/mol	McGowan Calculated Property
Pc	2761.36	kPa	Joback Calculated Property
Inp	[2126.00; 2126.00]
Inp	2126.00		NIST
Inp	2126.00		NIST
Tboil	749.90	K	Joback Calculated Property
Tc	991.10	K	Joback Calculated Property
Tfus	478.02	K	Joback Calculated Property
Vc	0.701	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[456.98; 509.06]	J/mol×K	[749.90; 991.10]
Cp,gas	456.98	J/mol×K	749.90	Joback Calculated Property
Cp,gas	468.13	J/mol×K	790.10	Joback Calculated Property
Cp,gas	478.24	J/mol×K	830.30	Joback Calculated Property
Cp,gas	487.35	J/mol×K	870.50	Joback Calculated Property
Cp,gas	495.50	J/mol×K	910.70	Joback Calculated Property
Cp,gas	502.72	J/mol×K	950.90	Joback Calculated Property
Cp,gas	509.06	J/mol×K	991.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, monochloride, 3-fluorophenyl ester.

Sources

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

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