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

InChI

InChI=1S/C26H43NO3/c1-6-7-8-9-10-11-12-13-17-30-26(29)24-16-14-15-23(18-24)25(28)27(19-21(2)3)20-22(4)5/h14-16,18,21-22H,6-13,17,19-20H2,1-5H3

InChI Key

DMJGYSRWVQBNIE-UHFFFAOYSA-N

Formula

C26H43NO3

SMILES

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

Molecular Weight¹

417.62

Other Names

• Isophthalic acid, monoamide, N-diisobutyl-, decyl 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°	13.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-655.32	kJ/mol	Joback Calculated Property
ΔfusH°	57.11	kJ/mol	Joback Calculated Property
ΔvapH°	93.58	kJ/mol	Joback Calculated Property
log10WS	-7.65		Crippen Calculated Property
logPoct/wat	6.738		Crippen Calculated Property
McVol	372.430	ml/mol	McGowan Calculated Property
Pc	932.35	kPa	Joback Calculated Property
Inp	[3054.00; 3054.00]
Inp	3054.00		NIST
Inp	3054.00		NIST
Tboil	967.66	K	Joback Calculated Property
Tc	1184.69	K	Joback Calculated Property
Tfus	546.28	K	Joback Calculated Property
Vc	1.419	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1258.41; 1348.23]	J/mol×K	[967.66; 1184.69]
Cp,gas	1258.41	J/mol×K	967.66	Joback Calculated Property
Cp,gas	1276.63	J/mol×K	1003.83	Joback Calculated Property
Cp,gas	1293.46	J/mol×K	1040.00	Joback Calculated Property
Cp,gas	1308.95	J/mol×K	1076.17	Joback Calculated Property
Cp,gas	1323.20	J/mol×K	1112.34	Joback Calculated Property
Cp,gas	1336.27	J/mol×K	1148.52	Joback Calculated Property
Cp,gas	1348.23	J/mol×K	1184.69	Joback Calculated Property

Similar Compounds

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

Sources

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

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