Chemical Properties of Isophthalic acid, ethyl 2-nitro-5-fluorophenyl ester

InChI

InChI=1S/C16H12FNO6/c1-2-23-15(19)10-4-3-5-11(8-10)16(20)24-14-9-12(17)6-7-13(14)18(21)22/h3-9H,2H2,1H3

InChI Key

BSNVQFSBVYUNGP-UHFFFAOYSA-N

Formula

C16H12FNO6

SMILES

CCOC(=O)c1cccc(C(=O)Oc2cc(F)ccc2[N+](=O)[O-])c1

Molecular Weight¹

333.27

• 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°	-347.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-631.39	kJ/mol	Joback Calculated Property
ΔfusH°	44.13	kJ/mol	Joback Calculated Property
ΔvapH°	91.83	kJ/mol	Joback Calculated Property
log10WS	-5.20		Crippen Calculated Property
logPoct/wat	3.130		Crippen Calculated Property
McVol	222.850	ml/mol	McGowan Calculated Property
Pc	2315.84	kPa	Joback Calculated Property
Inp	[2540.00; 2540.00]
Inp	2540.00		NIST
Inp	2540.00		NIST
Tboil	937.47	K	Joback Calculated Property
Tc	1183.07	K	Joback Calculated Property
Tfus	649.00	K	Joback Calculated Property
Vc	0.864	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[653.60; 689.09]	J/mol×K	[937.47; 1183.07]
Cp,gas	653.60	J/mol×K	937.47	Joback Calculated Property
Cp,gas	662.68	J/mol×K	978.40	Joback Calculated Property
Cp,gas	670.47	J/mol×K	1019.34	Joback Calculated Property
Cp,gas	676.98	J/mol×K	1060.27	Joback Calculated Property
Cp,gas	682.24	J/mol×K	1101.20	Joback Calculated Property
Cp,gas	686.27	J/mol×K	1142.13	Joback Calculated Property
Cp,gas	689.09	J/mol×K	1183.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, ethyl 2-nitro-5-fluorophenyl ester.

Sources

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

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