Chemical Properties of 3-Chloro-2-fluorobenzoic acid, 4-nitrophenyl ester

InChI

InChI=1S/C13H7ClFNO4/c14-11-3-1-2-10(12(11)15)13(17)20-9-6-4-8(5-7-9)16(18)19/h1-7H

InChI Key

LEJYFBCFPBXCFZ-UHFFFAOYSA-N

Formula

C13H7ClFNO4

SMILES

O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1F

Molecular Weight¹

295.65

• 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°	-150.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-340.41	kJ/mol	Joback Calculated Property
ΔfusH°	37.77	kJ/mol	Joback Calculated Property
ΔvapH°	80.39	kJ/mol	Joback Calculated Property
log10WS	-5.23		Crippen Calculated Property
logPoct/wat	3.607		Crippen Calculated Property
McVol	185.380	ml/mol	McGowan Calculated Property
Pc	2850.52	kPa	Joback Calculated Property
Inp	[2391.00; 2391.00]
Inp	2391.00		NIST
Inp	2391.00		NIST
Tboil	829.97	K	Joback Calculated Property
Tc	1088.79	K	Joback Calculated Property
Tfus	572.95	K	Joback Calculated Property
Vc	0.721	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[481.19; 523.38]	J/mol×K	[829.97; 1088.79]
Cp,gas	481.19	J/mol×K	829.97	Joback Calculated Property
Cp,gas	490.81	J/mol×K	873.11	Joback Calculated Property
Cp,gas	499.34	J/mol×K	916.24	Joback Calculated Property
Cp,gas	506.81	J/mol×K	959.38	Joback Calculated Property
Cp,gas	513.28	J/mol×K	1002.52	Joback Calculated Property
Cp,gas	518.79	J/mol×K	1045.66	Joback Calculated Property
Cp,gas	523.38	J/mol×K	1088.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, 4-nitrophenyl ester.

Sources

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

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