Chemical Properties of Isophthalic acid, monoamide, N,N-diisobutyl-, butyl ester

InChI

InChI=1S/C20H31NO3/c1-6-7-11-24-20(23)18-10-8-9-17(12-18)19(22)21(13-15(2)3)14-16(4)5/h8-10,12,15-16H,6-7,11,13-14H2,1-5H3

InChI Key

PDSIASOLUSOFDC-UHFFFAOYSA-N

Formula

C20H31NO3

SMILES

CCCCOC(=O)c1cccc(C(=O)N(CC(C)C)CC(C)C)c1

Molecular Weight¹

333.46

Other Names

• Isophthalic acid, monoamide, N-diisobutyl-, butyl ester

• 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°	-36.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-531.48	kJ/mol	Joback Calculated Property
ΔfusH°	41.57	kJ/mol	Joback Calculated Property
ΔvapH°	80.22	kJ/mol	Joback Calculated Property
log10WS	-5.14		Crippen Calculated Property
logPoct/wat	4.398		Crippen Calculated Property
McVol	287.890	ml/mol	McGowan Calculated Property
Pc	1372.76	kPa	Joback Calculated Property
Inp	[2424.00; 2424.00]
Inp	2424.00		NIST
Inp	2424.00		NIST
Tboil	830.38	K	Joback Calculated Property
Tc	1032.94	K	Joback Calculated Property
Tfus	478.66	K	Joback Calculated Property
Vc	1.083	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[891.50; 976.52]	J/mol×K	[830.38; 1032.94]
Cp,gas	891.50	J/mol×K	830.38	Joback Calculated Property
Cp,gas	908.40	J/mol×K	864.14	Joback Calculated Property
Cp,gas	924.15	J/mol×K	897.90	Joback Calculated Property
Cp,gas	938.79	J/mol×K	931.66	Joback Calculated Property
Cp,gas	952.37	J/mol×K	965.42	Joback Calculated Property
Cp,gas	964.93	J/mol×K	999.18	Joback Calculated Property
Cp,gas	976.52	J/mol×K	1032.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, monoamide, N,N-diisobutyl-, butyl ester.

Sources

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

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