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

InChI

InChI=1S/C22H35NO3/c1-6-7-8-9-13-26-22(25)20-12-10-11-19(14-20)21(24)23(15-17(2)3)16-18(4)5/h10-12,14,17-18H,6-9,13,15-16H2,1-5H3

InChI Key

AUQTWUYBYULPFW-UHFFFAOYSA-N

Formula

C22H35NO3

SMILES

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

Molecular Weight¹

361.52

Other Names

• Isophthalic acid, monoamide, N-diisobutyl-, hexyl 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°	-19.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-572.76	kJ/mol	Joback Calculated Property
ΔfusH°	46.75	kJ/mol	Joback Calculated Property
ΔvapH°	84.67	kJ/mol	Joback Calculated Property
log10WS	-5.98		Crippen Calculated Property
logPoct/wat	5.178		Crippen Calculated Property
McVol	316.070	ml/mol	McGowan Calculated Property
Pc	1196.48	kPa	Joback Calculated Property
Inp	[2632.00; 2632.00]
Inp	2632.00		NIST
Inp	2632.00		NIST
Tboil	876.14	K	Joback Calculated Property
Tc	1080.24	K	Joback Calculated Property
Tfus	501.20	K	Joback Calculated Property
Vc	1.196	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1011.26; 1097.68]	J/mol×K	[876.14; 1080.24]
Cp,gas	1011.26	J/mol×K	876.14	Joback Calculated Property
Cp,gas	1028.51	J/mol×K	910.16	Joback Calculated Property
Cp,gas	1044.56	J/mol×K	944.17	Joback Calculated Property
Cp,gas	1059.45	J/mol×K	978.19	Joback Calculated Property
Cp,gas	1073.23	J/mol×K	1012.21	Joback Calculated Property
Cp,gas	1085.96	J/mol×K	1046.22	Joback Calculated Property
Cp,gas	1097.68	J/mol×K	1080.24	Joback Calculated Property

Similar Compounds

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

Sources

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

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