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

InChI

InChI=1S/C22H35NO3/c1-16(2)9-8-12-26-22(25)20-11-7-10-19(13-20)21(24)23(14-17(3)4)15-18(5)6/h7,10-11,13,16-18H,8-9,12,14-15H2,1-6H3

InChI Key

INOODSYHEDROCB-UHFFFAOYSA-N

Formula

C22H35NO3

SMILES

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

Molecular Weight¹

361.52

Other Names

• Isophthalic acid, monoamide, N-diisobutyl-, isohexyl 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°	-22.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-578.04	kJ/mol	Joback Calculated Property
ΔfusH°	43.23	kJ/mol	Joback Calculated Property
ΔvapH°	84.28	kJ/mol	Joback Calculated Property
log10WS	-5.74		Crippen Calculated Property
logPoct/wat	5.034		Crippen Calculated Property
McVol	316.070	ml/mol	McGowan Calculated Property
Pc	1203.12	kPa	Joback Calculated Property
Inp	[2582.00; 2582.00]
Inp	2582.00		NIST
Inp	2582.00		NIST
Tboil	875.70	K	Joback Calculated Property
Tc	1081.24	K	Joback Calculated Property
Tfus	486.20	K	Joback Calculated Property
Vc	1.190	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1011.74; 1098.36]	J/mol×K	[875.70; 1081.24]
Cp,gas	1011.74	J/mol×K	875.70	Joback Calculated Property
Cp,gas	1029.10	J/mol×K	909.96	Joback Calculated Property
Cp,gas	1045.21	J/mol×K	944.21	Joback Calculated Property
Cp,gas	1060.14	J/mol×K	978.47	Joback Calculated Property
Cp,gas	1073.94	J/mol×K	1012.73	Joback Calculated Property
Cp,gas	1086.66	J/mol×K	1046.99	Joback Calculated Property
Cp,gas	1098.36	J/mol×K	1081.24	Joback Calculated Property

Similar Compounds

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

Sources

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

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