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

InChI

InChI=1S/C18H27NO3/c1-6-22-18(21)16-9-7-8-15(10-16)17(20)19(11-13(2)3)12-14(4)5/h7-10,13-14H,6,11-12H2,1-5H3

InChI Key

WJUFSUUEQIXODL-UHFFFAOYSA-N

Formula

C18H27NO3

SMILES

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

Molecular Weight¹

305.41

Other Names

• Isophthalic acid, monoamide, N-diisobutyl-, ethyl 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	0.8100		Relay (1.0) Calculated Property
ΔfG°	-53.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-633.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.39	kJ/mol	Joback Calculated Property
ΔvapH°	80.93	kJ/mol	Relay (1.0) Calculated Property
IE	8.29	eV	Relay (1.0) Calculated Property
log10WS	-4.74		Relay (1.0) Calculated Property
logPoct/wat	3.617		Crippen Calculated Property
McVol	259.710	ml/mol	McGowan Calculated Property
Pc	1591.08	kPa	Joback Calculated Property
Inp	[2217.00; 2217.00]
Inp	2217.00		NIST
Inp	2217.00		NIST
Tboil	624.88	K	Relay (1.0) Calculated Property
Tc	815.39	K	Relay (1.0) Calculated Property
Tfus	325.70	K	Relay (1.0) Calculated Property
Vc	0.948	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[774.91; 858.34]	J/mol×K	[784.62; 988.33]
Cp,gas	774.91	J/mol×K	784.62	Joback Calculated Property
Cp,gas	791.45	J/mol×K	818.57	Joback Calculated Property
Cp,gas	806.88	J/mol×K	852.52	Joback Calculated Property
Cp,gas	821.25	J/mol×K	886.48	Joback Calculated Property
Cp,gas	834.59	J/mol×K	920.43	Joback Calculated Property
Cp,gas	846.94	J/mol×K	954.38	Joback Calculated Property
Cp,gas	858.34	J/mol×K	988.33	Joback Calculated Property

Similar Compounds

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

Sources

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

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