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

InChI

InChI=1S/C24H39NO3/c1-6-7-8-9-10-11-15-28-24(27)22-14-12-13-21(16-22)23(26)25(17-19(2)3)18-20(4)5/h12-14,16,19-20H,6-11,15,17-18H2,1-5H3

InChI Key

XFCNBVHJZLKUCP-UHFFFAOYSA-N

Formula

C24H39NO3

SMILES

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

Molecular Weight¹

389.57

Other Names

• Isophthalic acid, monoamide, N-diisobutyl-, octyl 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	1.0536		Relay (1.0) Calculated Property
ΔfG°	-2.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-752.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.93	kJ/mol	Joback Calculated Property
ΔvapH°	95.32	kJ/mol	Relay (1.0) Calculated Property
IE	8.33	eV	Relay (1.0) Calculated Property
log10WS	-6.55		Relay (1.0) Calculated Property
logPoct/wat	5.958		Crippen Calculated Property
McVol	344.250	ml/mol	McGowan Calculated Property
Pc	1052.09	kPa	Joback Calculated Property
Inp	[2838.00; 2838.00]
Inp	2838.00		NIST
Inp	2838.00		NIST
Tboil	668.13	K	Relay (1.0) Calculated Property
Tc	869.12	K	Relay (1.0) Calculated Property
Tfus	319.75	K	Relay (1.0) Calculated Property
Vc	1.274	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1133.71; 1221.64]	J/mol×K	[921.90; 1130.66]
Cp,gas	1133.71	J/mol×K	921.90	Joback Calculated Property
Cp,gas	1151.38	J/mol×K	956.69	Joback Calculated Property
Cp,gas	1167.77	J/mol×K	991.49	Joback Calculated Property
Cp,gas	1182.93	J/mol×K	1026.28	Joback Calculated Property
Cp,gas	1196.92	J/mol×K	1061.08	Joback Calculated Property
Cp,gas	1209.80	J/mol×K	1095.87	Joback Calculated Property
Cp,gas	1221.64	J/mol×K	1130.66	Joback Calculated Property

Similar Compounds

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

Sources

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

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