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

InChI

InChI=1S/C9H9NO4/c11-7-14-5-4-8-2-1-3-9(6-8)10(12)13/h1-3,6-7H,4-5H2

InChI Key

QSHDHOFHYIOUTH-UHFFFAOYSA-N

Formula

C9H9NO4

SMILES

O=COCCc1cccc([N+](=O)[O-])c1

Molecular Weight¹

195.17

• 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°	-41.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-232.59	kJ/mol	Joback Calculated Property
ΔfusH°	27.56	kJ/mol	Joback Calculated Property
ΔvapH°	64.29	kJ/mol	Joback Calculated Property
log10WS	-2.21		Crippen Calculated Property
logPoct/wat	1.310		Crippen Calculated Property
McVol	138.770	ml/mol	McGowan Calculated Property
Pc	3472.45	kPa	Joback Calculated Property
Inp	[1659.00; 1659.00]
Inp	1659.00		NIST
Inp	1659.00		NIST
Tboil	659.90	K	Joback Calculated Property
Tc	897.04	K	Joback Calculated Property
Tfus	437.97	K	Joback Calculated Property
Vc	0.548	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[347.00; 402.04]	J/mol×K	[659.90; 897.04]
Cp,gas	347.00	J/mol×K	659.90	Joback Calculated Property
Cp,gas	358.18	J/mol×K	699.42	Joback Calculated Property
Cp,gas	368.52	J/mol×K	738.95	Joback Calculated Property
Cp,gas	378.06	J/mol×K	778.47	Joback Calculated Property
Cp,gas	386.81	J/mol×K	818.00	Joback Calculated Property
Cp,gas	394.80	J/mol×K	857.52	Joback Calculated Property
Cp,gas	402.04	J/mol×K	897.04	Joback Calculated Property

Similar Compounds

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

Sources

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

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