Chemical Properties of Beclamide (CAS 501-68-8)

InChI

InChI=1S/C10H12ClNO/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)

InChI Key

JPYQFYIEOUVJDU-UHFFFAOYSA-N

Formula

C10H12ClNO

SMILES

O=C(CCCl)NCc1ccccc1

Molecular Weight¹

197.66

CAS

501-68-8

Other Names

• Propanamide, 3-chloro-N-(phenylmethyl)-
• Beclamid
• Beklamid
• N-Benzyl-«beta»-chloropropanamide
• N-Benzyl-«beta»-chloropropionamide
• N-Benzyl-3-chloropropionamide
• Chloracon
• Chlorakon
• Chloroethylphenamide
• N-(3-Chloropropionyl)benzylamine
• Hibicon
• Nidrane
• Nydran
• Nydrane
• Posedrine
• Propionamide, N-benzyl-3-chloro-
• Seclar
• Benxchlorpropamide
• Benzchlorpropamid
• Benzchlorpropamide
• Benzochlorpropamid
• Khlorakon
• Neuracen
• Posedrin
• 3-Chloro-N-(phenylmethyl)propanamide
• NSC 67062

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	26.59	kJ/mol	Joback Calculated Property
IE	9.18	eV	Relay (1.0) Calculated Property
log10WS	-1.87		Relay (1.0) Calculated Property
logPoct/wat	1.932		Crippen Calculated Property
McVol	151.790	ml/mol	McGowan Calculated Property
Pc	3059.17	kPa	Joback Calculated Property
Inp	[1678.00; 1715.00]
Inp	1697.00		NIST
Inp	1715.00		NIST
Inp	1685.00		NIST
Inp	1678.00		NIST
Inp	1697.00		NIST
Tboil	572.68	K	Relay (1.0) Calculated Property
Tfus	314.59	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[190.88; 450.89]	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			-2.10670e+01
Coefficient B			9.29900e-01
Coefficient C			-6.01700e-04
Coefficient D			1.43760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	190.88	J/mol×K	273.00	Calculated Property
Cp,gas	238.97	J/mol×K	353.78	Calculated Property
Cp,gas	281.20	J/mol×K	434.56	Calculated Property
Cp,gas	318.02	J/mol×K	515.33	Calculated Property
Cp,gas	349.90	J/mol×K	596.11	Calculated Property
Cp,gas	377.27	J/mol×K	676.89	Calculated Property
Cp,gas	400.60	J/mol×K	757.67	Calculated Property
Cp,gas	420.35	J/mol×K	838.44	Calculated Property
Cp,gas	436.96	J/mol×K	919.22	Calculated Property
Cp,gas	450.89	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Beclamide.

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.
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