Chemical Properties of Isophthalic acid, monoamide, N-(2-chlorophenyl)-, propyl ester

InChI

InChI=1S/C17H16ClNO3/c1-2-10-22-17(21)13-7-5-6-12(11-13)16(20)19-15-9-4-3-8-14(15)18/h3-9,11H,2,10H2,1H3,(H,19,20)

InChI Key

JPUUSDPKYMEQIU-UHFFFAOYSA-N

Formula

C17H16ClNO3

SMILES

CCCOC(=O)c1cccc(C(=O)Nc2ccccc2Cl)c1

Molecular Weight¹

317.77

• 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).
• 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
ΔfG°	12.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-263.74	kJ/mol	Joback Calculated Property
ΔfusH°	40.77	kJ/mol	Joback Calculated Property
ΔvapH°	86.03	kJ/mol	Joback Calculated Property
log10WS	-5.21		Crippen Calculated Property
logPoct/wat	4.159		Crippen Calculated Property
McVol	234.100	ml/mol	McGowan Calculated Property
Pc	2197.95	kPa	Joback Calculated Property
Inp	[2718.00; 2718.00]
Inp	2718.00		NIST
Inp	2718.00		NIST
Tboil	869.44	K	Joback Calculated Property
Tc	1105.90	K	Joback Calculated Property
Tfus	563.90	K	Joback Calculated Property
Vc	0.885	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[659.87; 714.96]	J/mol×K	[869.44; 1105.90]
Cp,gas	659.87	J/mol×K	869.44	Joback Calculated Property
Cp,gas	671.77	J/mol×K	908.85	Joback Calculated Property
Cp,gas	682.51	J/mol×K	948.26	Joback Calculated Property
Cp,gas	692.15	J/mol×K	987.67	Joback Calculated Property
Cp,gas	700.73	J/mol×K	1027.08	Joback Calculated Property
Cp,gas	708.32	J/mol×K	1066.49	Joback Calculated Property
Cp,gas	714.96	J/mol×K	1105.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, monoamide, N-(2-chlorophenyl)-, propyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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