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

InChI

InChI=1S/C8H6FNO4/c9-7-2-1-6(4-14-5-11)3-8(7)10(12)13/h1-3,5H,4H2

InChI Key

FJGKHWVRZIWVIY-UHFFFAOYSA-N

Formula

C8H6FNO4

SMILES

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

Molecular Weight¹

199.14

• 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	0.6151		Relay (1.0) Calculated Property
ΔfG°	-254.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-409.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.66	kJ/mol	Joback Calculated Property
ΔvapH°	74.54	kJ/mol	Relay (1.0) Calculated Property
IE	9.79	eV	Relay (1.0) Calculated Property
log10WS	-2.69		Relay (1.0) Calculated Property
logPoct/wat	1.407		Crippen Calculated Property
McVol	126.450	ml/mol	McGowan Calculated Property
Pc	3624.61	kPa	Joback Calculated Property
Inp	[1551.00; 1551.00]
Inp	1551.00		NIST
Inp	1551.00		NIST
Tboil	531.82	K	Relay (1.0) Calculated Property
Tc	781.62	K	Relay (1.0) Calculated Property
Tfus	300.11	K	Relay (1.0) Calculated Property
Vc	0.444	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[306.19; 353.72]	J/mol×K	[641.27; 872.87]
Cp,gas	306.19	J/mol×K	641.27	Joback Calculated Property
Cp,gas	315.78	J/mol×K	679.87	Joback Calculated Property
Cp,gas	324.69	J/mol×K	718.47	Joback Calculated Property
Cp,gas	332.92	J/mol×K	757.07	Joback Calculated Property
Cp,gas	340.50	J/mol×K	795.67	Joback Calculated Property
Cp,gas	347.43	J/mol×K	834.27	Joback Calculated Property
Cp,gas	353.72	J/mol×K	872.87	Joback Calculated Property

Similar Compounds

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

Sources

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

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