Chemical Properties of Formic acid, (4-chloro-3-nitrophenyl)methyl ester

InChI

InChI=1S/C8H6ClNO4/c9-7-2-1-6(4-14-5-11)3-8(7)10(12)13/h1-3,5H,4H2

InChI Key

ZCKXDFAHWOAEDD-UHFFFAOYSA-N

Formula

C8H6ClNO4

SMILES

O=COCc1ccc(Cl)c([N+](=O)[O-])c1

Molecular Weight¹

215.59

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.6295		Relay (1.0) Calculated Property
ΔfG°	-71.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-250.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.77	kJ/mol	Joback Calculated Property
ΔvapH°	78.30	kJ/mol	Relay (1.0) Calculated Property
IE	9.61	eV	Relay (1.0) Calculated Property
log10WS	-3.14		Relay (1.0) Calculated Property
logPoct/wat	1.921		Crippen Calculated Property
McVol	136.920	ml/mol	McGowan Calculated Property
Pc	3659.77	kPa	Joback Calculated Property
Inp	[1700.00; 1700.00]
Inp	1700.00		NIST
Inp	1700.00		NIST
Tboil	562.09	K	Relay (1.0) Calculated Property
Tc	819.60	K	Relay (1.0) Calculated Property
Tfus	303.23	K	Relay (1.0) Calculated Property
Vc	0.476	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[318.30; 362.69]	J/mol×K	[679.43; 925.25]
Cp,gas	318.30	J/mol×K	679.43	Joback Calculated Property
Cp,gas	327.51	J/mol×K	720.40	Joback Calculated Property
Cp,gas	335.98	J/mol×K	761.37	Joback Calculated Property
Cp,gas	343.72	J/mol×K	802.34	Joback Calculated Property
Cp,gas	350.74	J/mol×K	843.31	Joback Calculated Property
Cp,gas	357.06	J/mol×K	884.28	Joback Calculated Property
Cp,gas	362.69	J/mol×K	925.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Formic acid, (4-chloro-3-nitrophenyl)methyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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