Chemical Properties of Isophthalic acid, monoamide, N-butyl-, isobutyl ester

InChI

InChI=1S/C16H23NO3/c1-4-5-9-17-15(18)13-7-6-8-14(10-13)16(19)20-11-12(2)3/h6-8,10,12H,4-5,9,11H2,1-3H3,(H,17,18)

InChI Key

CCNANCYWNHNYMX-UHFFFAOYSA-N

Formula

C16H23NO3

SMILES

CCCCNC(=O)c1cccc(C(=O)OCC(C)C)c1

Molecular Weight¹

277.36

• 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	0.8309		Relay (1.0) Calculated Property
ΔfG°	-89.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-603.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.81	kJ/mol	Joback Calculated Property
ΔvapH°	83.83	kJ/mol	Relay (1.0) Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
log10WS	-4.22		Relay (1.0) Calculated Property
logPoct/wat	3.029		Crippen Calculated Property
McVol	231.530	ml/mol	McGowan Calculated Property
Pc	1877.28	kPa	Joback Calculated Property
Inp	[2325.00; 2325.00]
Inp	2325.00		NIST
Inp	2325.00		NIST
Tboil	620.29	K	Relay (1.0) Calculated Property
Tc	834.18	K	Relay (1.0) Calculated Property
Tfus	324.36	K	Relay (1.0) Calculated Property
Vc	0.848	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[677.44; 752.73]	J/mol×K	[777.03; 983.90]
Cp,gas	677.44	J/mol×K	777.03	Joback Calculated Property
Cp,gas	692.45	J/mol×K	811.51	Joback Calculated Property
Cp,gas	706.43	J/mol×K	845.99	Joback Calculated Property
Cp,gas	719.42	J/mol×K	880.46	Joback Calculated Property
Cp,gas	731.45	J/mol×K	914.94	Joback Calculated Property
Cp,gas	742.54	J/mol×K	949.42	Joback Calculated Property
Cp,gas	752.73	J/mol×K	983.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, monoamide, N-butyl-, isobutyl ester.

Sources

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

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