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

InChI

InChI=1S/C25H41NO3/c1-6-7-8-9-10-11-12-16-29-25(28)23-15-13-14-22(17-23)24(27)26(18-20(2)3)19-21(4)5/h13-15,17,20-21H,6-12,16,18-19H2,1-5H3

InChI Key

SMBNKDQUBPNXLW-UHFFFAOYSA-N

Formula

C25H41NO3

SMILES

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

Molecular Weight¹

403.60

Other Names

• Isophthalic acid, monoamide, N-diisobutyl-, nonyl 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	1.0900		Relay (1.0) Calculated Property
ΔfG°	5.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-773.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.52	kJ/mol	Joback Calculated Property
ΔvapH°	99.40	kJ/mol	Relay (1.0) Calculated Property
IE	8.36	eV	Relay (1.0) Calculated Property
log10WS	-6.84		Relay (1.0) Calculated Property
logPoct/wat	6.348		Crippen Calculated Property
McVol	358.340	ml/mol	McGowan Calculated Property
Pc	989.51	kPa	Joback Calculated Property
Inp	[2941.00; 2941.00]
Inp	2941.00		NIST
Inp	2941.00		NIST
Tboil	675.12	K	Relay (1.0) Calculated Property
Tc	876.63	K	Relay (1.0) Calculated Property
Tfus	320.61	K	Relay (1.0) Calculated Property
Vc	1.329	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1195.80; 1284.62]	J/mol×K	[944.78; 1157.19]
Cp,gas	1195.80	J/mol×K	944.78	Joback Calculated Property
Cp,gas	1213.73	J/mol×K	980.18	Joback Calculated Property
Cp,gas	1230.32	J/mol×K	1015.58	Joback Calculated Property
Cp,gas	1245.64	J/mol×K	1050.99	Joback Calculated Property
Cp,gas	1259.75	J/mol×K	1086.39	Joback Calculated Property
Cp,gas	1272.72	J/mol×K	1121.79	Joback Calculated Property
Cp,gas	1284.62	J/mol×K	1157.19	Joback Calculated Property

Similar Compounds

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

Sources

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

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