Chemical Properties of Formic acid, (2-methyl-3-nitrophenyl)methyl ester

InChI

InChI=1S/C9H9NO4/c1-7-8(5-14-6-11)3-2-4-9(7)10(12)13/h2-4,6H,5H2,1H3

InChI Key

IRRRYMHLGMSXFJ-UHFFFAOYSA-N

Formula

C9H9NO4

SMILES

Cc1c(COC=O)cccc1[N+](=O)[O-]

Molecular Weight¹

195.17

• 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	0.6255		Relay (1.0) Calculated Property
ΔfG°	-50.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-245.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.17	kJ/mol	Joback Calculated Property
ΔvapH°	79.69	kJ/mol	Relay (1.0) Calculated Property
IE	9.48	eV	Relay (1.0) Calculated Property
log10WS	-2.79		Relay (1.0) Calculated Property
logPoct/wat	1.576		Crippen Calculated Property
McVol	138.770	ml/mol	McGowan Calculated Property
Pc	3411.87	kPa	Joback Calculated Property
Inp	[1603.00; 1603.00]
Inp	1603.00		NIST
Inp	1603.00		NIST
Tboil	562.31	K	Relay (1.0) Calculated Property
Tc	800.39	K	Relay (1.0) Calculated Property
Tfus	320.82	K	Relay (1.0) Calculated Property
Vc	0.478	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[345.52; 399.98]	J/mol×K	[664.88; 902.91]
Cp,gas	345.52	J/mol×K	664.88	Joback Calculated Property
Cp,gas	356.53	J/mol×K	704.55	Joback Calculated Property
Cp,gas	366.74	J/mol×K	744.22	Joback Calculated Property
Cp,gas	376.18	J/mol×K	783.89	Joback Calculated Property
Cp,gas	384.86	J/mol×K	823.56	Joback Calculated Property
Cp,gas	392.79	J/mol×K	863.24	Joback Calculated Property
Cp,gas	399.98	J/mol×K	902.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Formic acid, (2-methyl-3-nitrophenyl)methyl ester.

Sources

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

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