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

InChI

InChI=1S/C21H33NO3/c1-6-7-8-12-25-21(24)19-11-9-10-18(13-19)20(23)22(14-16(2)3)15-17(4)5/h9-11,13,16-17H,6-8,12,14-15H2,1-5H3

InChI Key

MBGMNTHIVRLQGS-UHFFFAOYSA-N

Formula

C21H33NO3

SMILES

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

Molecular Weight¹

347.49

Other Names

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

• 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	0.9395		Relay (1.0) Calculated Property
ΔfG°	-28.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-689.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.16	kJ/mol	Joback Calculated Property
ΔvapH°	85.37	kJ/mol	Relay (1.0) Calculated Property
IE	8.29	eV	Relay (1.0) Calculated Property
log10WS	-5.63		Relay (1.0) Calculated Property
logPoct/wat	4.788		Crippen Calculated Property
McVol	301.980	ml/mol	McGowan Calculated Property
Pc	1280.08	kPa	Joback Calculated Property
Inp	[2527.00; 2527.00]
Inp	2527.00		NIST
Inp	2527.00		NIST
Tboil	645.56	K	Relay (1.0) Calculated Property
Tc	843.98	K	Relay (1.0) Calculated Property
Tfus	320.12	K	Relay (1.0) Calculated Property
Vc	1.109	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[951.02; 1036.74]	J/mol×K	[853.26; 1056.23]
Cp,gas	951.02	J/mol×K	853.26	Joback Calculated Property
Cp,gas	968.09	J/mol×K	887.09	Joback Calculated Property
Cp,gas	983.98	J/mol×K	920.92	Joback Calculated Property
Cp,gas	998.75	J/mol×K	954.74	Joback Calculated Property
Cp,gas	1012.43	J/mol×K	988.57	Joback Calculated Property
Cp,gas	1025.08	J/mol×K	1022.40	Joback Calculated Property
Cp,gas	1036.74	J/mol×K	1056.23	Joback Calculated Property

Similar Compounds

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

Sources

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

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