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

InChI

InChI=1S/C20H31NO3/c1-14(2)11-21(12-15(3)4)19(22)17-8-7-9-18(10-17)20(23)24-13-16(5)6/h7-10,14-16H,11-13H2,1-6H3

InChI Key

UVRWKWAQTWYTRE-UHFFFAOYSA-N

Formula

C20H31NO3

SMILES

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

Molecular Weight¹

333.46

Other Names

• Isophthalic acid, monoamide, N-diisobutyl-, isobutyl 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	0.8725		Relay (1.0) Calculated Property
ΔfG°	-39.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-687.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.05	kJ/mol	Joback Calculated Property
ΔvapH°	81.07	kJ/mol	Relay (1.0) Calculated Property
IE	8.35	eV	Relay (1.0) Calculated Property
log10WS	-5.24		Relay (1.0) Calculated Property
logPoct/wat	4.254		Crippen Calculated Property
McVol	287.890	ml/mol	McGowan Calculated Property
Pc	1380.93	kPa	Joback Calculated Property
Inp	[2376.00; 2376.00]
Inp	2376.00		NIST
Inp	2376.00		NIST
Tboil	638.42	K	Relay (1.0) Calculated Property
Tc	836.39	K	Relay (1.0) Calculated Property
Tfus	335.27	K	Relay (1.0) Calculated Property
Vc	1.057	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[892.02; 977.53]	J/mol×K	[829.94; 1034.59]
Cp,gas	892.02	J/mol×K	829.94	Joback Calculated Property
Cp,gas	909.08	J/mol×K	864.05	Joback Calculated Property
Cp,gas	924.95	J/mol×K	898.16	Joback Calculated Property
Cp,gas	939.69	J/mol×K	932.27	Joback Calculated Property
Cp,gas	953.34	J/mol×K	966.38	Joback Calculated Property
Cp,gas	965.93	J/mol×K	1000.48	Joback Calculated Property
Cp,gas	977.53	J/mol×K	1034.59	Joback Calculated Property

Similar Compounds

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

Sources

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

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