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

InChI

InChI=1S/C28H47NO3/c1-6-7-8-9-10-11-12-13-14-15-19-32-28(31)26-18-16-17-25(20-26)27(30)29(21-23(2)3)22-24(4)5/h16-18,20,23-24H,6-15,19,21-22H2,1-5H3

InChI Key

POGWAMWGVUNNDD-UHFFFAOYSA-N

Formula

C28H47NO3

SMILES

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

Molecular Weight¹

445.68

Other Names

• Isophthalic acid, monoamide, N-diisobutyl-, dodecyl 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	1.1986		Relay (1.0) Calculated Property
ΔfG°	30.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-836.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.29	kJ/mol	Joback Calculated Property
ΔvapH°	111.56	kJ/mol	Relay (1.0) Calculated Property
IE	8.46	eV	Relay (1.0) Calculated Property
log10WS	-7.67		Relay (1.0) Calculated Property
logPoct/wat	7.518		Crippen Calculated Property
McVol	400.610	ml/mol	McGowan Calculated Property
Pc	831.94	kPa	Joback Calculated Property
Inp	[3254.00; 3254.00]
Inp	3254.00		NIST
Inp	3254.00		NIST
Tboil	695.79	K	Relay (1.0) Calculated Property
Tc	897.77	K	Relay (1.0) Calculated Property
Tfus	322.80	K	Relay (1.0) Calculated Property
Vc	1.492	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1384.99; 1477.30]	J/mol×K	[1013.42; 1242.86]
Cp,gas	1384.99	J/mol×K	1013.42	Joback Calculated Property
Cp,gas	1403.94	J/mol×K	1051.66	Joback Calculated Property
Cp,gas	1421.34	J/mol×K	1089.90	Joback Calculated Property
Cp,gas	1437.28	J/mol×K	1128.14	Joback Calculated Property
Cp,gas	1451.85	J/mol×K	1166.38	Joback Calculated Property
Cp,gas	1465.16	J/mol×K	1204.62	Joback Calculated Property
Cp,gas	1477.30	J/mol×K	1242.86	Joback Calculated Property

Similar Compounds

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

Sources

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

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