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

InChI

InChI=1S/C20H23NO3/c1-3-4-5-12-24-20(23)17-10-7-9-16(14-17)19(22)21-18-11-6-8-15(2)13-18/h6-11,13-14H,3-5,12H2,1-2H3,(H,21,22)

InChI Key

HHUAMJHWANZNIZ-UHFFFAOYSA-N

Formula

C20H23NO3

SMILES

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

Molecular Weight¹

325.40

• ω : Acentric Factor.
• Δ_fH°_gas : Enthalpy of formation 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	1.0429		Relay (1.0) Calculated Property
ΔfH°gas	-442.39	kJ/mol	Relay (1.0) Calculated Property
IE	8.04	eV	Relay (1.0) Calculated Property
log10WS	-5.28		Relay (1.0) Calculated Property
logPoct/wat	4.978		Crippen Calculated Property
McVol	264.130	ml/mol	McGowan Calculated Property
Pc	1588.54	kPa	Joback Calculated Property
Inp	[2969.00; 2969.00]
Inp	2969.00		NIST
Inp	2969.00		NIST
Tboil	677.21	K	Relay (1.0) Calculated Property
Tc	946.46	K	Relay (1.0) Calculated Property
Tfus	377.30	K	Relay (1.0) Calculated Property
Vc	0.962	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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