Chemical Properties of Benzoic acid, 2-(formylamino)-, methyl ester (CAS 41270-80-8)

InChI

InChI=1S/C9H9NO3/c1-13-9(12)7-4-2-3-5-8(7)10-6-11/h2-6H,1H3,(H,10,11)

InChI Key

HRNPZFOYXWWMFL-UHFFFAOYSA-N

Formula

C9H9NO3

SMILES

COC(=O)c1ccccc1NC=O

Molecular Weight¹

179.17

CAS

41270-80-8

Other Names

• Methyl N-formylanthranilate
• Methyl 2-formylaminobenzoate
• Methyl 2-formamidobenzoate

• 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°	-116.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-280.94	kJ/mol	Joback Calculated Property
ΔfusH°	22.89	kJ/mol	Joback Calculated Property
ΔvapH°	60.88	kJ/mol	Joback Calculated Property
log10WS	-1.50		Crippen Calculated Property
logPoct/wat	1.041		Crippen Calculated Property
McVol	132.900	ml/mol	McGowan Calculated Property
Pc	3749.97	kPa	Joback Calculated Property
Inp	[1564.10; 1564.10]
Inp	1564.10		NIST
Inp	1564.10		NIST
Tboil	612.10	K	Joback Calculated Property
Tc	832.00	K	Joback Calculated Property
Tfus	396.95	K	Joback Calculated Property
Vc	0.507	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[315.66; 370.85]	J/mol×K	[612.10; 832.00]
Cp,gas	315.66	J/mol×K	612.10	Joback Calculated Property
Cp,gas	326.58	J/mol×K	648.75	Joback Calculated Property
Cp,gas	336.79	J/mol×K	685.40	Joback Calculated Property
Cp,gas	346.31	J/mol×K	722.05	Joback Calculated Property
Cp,gas	355.15	J/mol×K	758.70	Joback Calculated Property
Cp,gas	363.33	J/mol×K	795.35	Joback Calculated Property
Cp,gas	370.85	J/mol×K	832.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-(formylamino)-, methyl ester.

Sources

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

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