Chemical Properties of Isophthalic acid, monoamide, N-(3-methylphenyl)-, ethyl ester

InChI

InChI=1S/C17H17NO3/c1-3-21-17(20)14-8-5-7-13(11-14)16(19)18-15-9-4-6-12(2)10-15/h4-11H,3H2,1-2H3,(H,18,19)

InChI Key

LGSYMCXYGNBWMV-UHFFFAOYSA-N

Formula

C17H17NO3

SMILES

CCOC(=O)c1cccc(C(=O)Nc2cccc(C)c2)c1

Molecular Weight¹

283.32

• 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	0.7845		Relay (1.0) Calculated Property
ΔfG°	24.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-412.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.57	kJ/mol	Joback Calculated Property
ΔvapH°	99.86	kJ/mol	Relay (1.0) Calculated Property
IE	8.09	eV	Relay (1.0) Calculated Property
log10WS	-4.67		Relay (1.0) Calculated Property
logPoct/wat	3.424		Crippen Calculated Property
McVol	221.860	ml/mol	McGowan Calculated Property
Pc	2276.24	kPa	Joback Calculated Property
Inp	[2649.00; 2649.00]
Inp	2649.00		NIST
Inp	2649.00		NIST
Tboil	657.15	K	Relay (1.0) Calculated Property
Tc	941.30	K	Relay (1.0) Calculated Property
Tfus	389.69	K	Relay (1.0) Calculated Property
Vc	0.806	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[637.87; 700.37]	J/mol×K	[832.01; 1065.87]
Cp,gas	637.87	J/mol×K	832.01	Joback Calculated Property
Cp,gas	651.09	J/mol×K	870.99	Joback Calculated Property
Cp,gas	663.14	J/mol×K	909.96	Joback Calculated Property
Cp,gas	674.04	J/mol×K	948.94	Joback Calculated Property
Cp,gas	683.84	J/mol×K	987.92	Joback Calculated Property
Cp,gas	692.61	J/mol×K	1026.89	Joback Calculated Property
Cp,gas	700.37	J/mol×K	1065.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, monoamide, N-(3-methylphenyl)-, ethyl ester.

Sources

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

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