Chemical Properties of Benzamide, N-(3-chlorophenyl)-2-methoxy-

InChI

InChI=1S/C14H12ClNO2/c1-18-13-8-3-2-7-12(13)14(17)16-11-6-4-5-10(15)9-11/h2-9H,1H3,(H,16,17)

InChI Key

RLDGBZWAIDMLAE-UHFFFAOYSA-N

Formula

C14H12ClNO2

SMILES

COc1ccccc1C(=O)Nc1cccc(Cl)c1

Molecular Weight¹

261.70

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-163.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.40	kJ/mol	Joback Calculated Property
ΔvapH°	97.08	kJ/mol	Relay (1.0) Calculated Property
IE	7.87	eV	Relay (1.0) Calculated Property
log10WS	-4.62		Relay (1.0) Calculated Property
logPoct/wat	3.601		Crippen Calculated Property
McVol	190.260	ml/mol	McGowan Calculated Property
Inp	[2348.00; 2348.00]
Inp	2348.00		NIST
Inp	2348.00		NIST
Tboil	638.00	K	Relay (1.0) Calculated Property
Tfus	400.20	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[238.98; 551.15]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.51000e+00
Coefficient B			1.04882e+00
Coefficient C			-6.05420e-04
Coefficient D			1.12260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.98	J/mol×K	273.00	Calculated Property
Cp,gas	295.74	J/mol×K	353.78	Calculated Property
Cp,gas	346.15	J/mol×K	434.56	Calculated Property
Cp,gas	390.56	J/mol×K	515.33	Calculated Property
Cp,gas	429.35	J/mol×K	596.11	Calculated Property
Cp,gas	462.85	J/mol×K	676.89	Calculated Property
Cp,gas	491.43	J/mol×K	757.67	Calculated Property
Cp,gas	515.43	J/mol×K	838.44	Calculated Property
Cp,gas	535.22	J/mol×K	919.22	Calculated Property
Cp,gas	551.15	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, N-(3-chlorophenyl)-2-methoxy-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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