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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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	0.8097		Relay (1.0) Calculated Property
ΔfusH°	40.77	kJ/mol	Joback Calculated Property
IE	8.35	eV	Relay (1.0) Calculated Property
log10WS	-5.17		Relay (1.0) 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	654.99	K	Relay (1.0) Calculated Property
Tc	955.63	K	Relay (1.0) Calculated Property
Tfus	381.74	K	Relay (1.0) Calculated Property
Vc	0.837	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.