Chemical Properties of 2-Chloro-N-methylacetamide (CAS 96-30-0)

2-Chloro-N-methylacetamide

InChI
InChI=1S/C3H6ClNO/c1-5-3(6)2-4/h2H2,1H3,(H,5,6)
InChI Key
HOZLOOPIXHWKCI-UHFFFAOYSA-N
Formula
C3H6ClNO
SMILES
CNC(=O)CCl
Molecular Weight1
107.54
CAS
96-30-0
Other Names
  • Acetamide, 2-chloro-N-methyl-
  • ClCON(CH3)2
  • N-Methyl-2-chloroacetamide
  • N-Methylchloroacetamide
  • USAF DO-35
  • «alpha»-Chloro-N-methylacetamide
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Physical Properties

Property Value Unit Source
PAff 845.80 kJ/mol NIST
BasG 814.80 kJ/mol NIST
ΔfH°gas -278.00 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 14.42 kJ/mol Joback Calculated Property
ΔvapH° 52.97 kJ/mol Relay (1.0) Calculated Property
IE 9.77 eV Relay (1.0) Calculated Property
logPoct/wat -0.029 Crippen Calculated Property
McVol 76.920 ml/mol McGowan Calculated Property
Tboil 462.61 K Relay (1.0) Calculated Property
Tfus 319.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 386.50 ± 1.50 K 2.70 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [99.64; 208.28] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.92010e+01
Coefficient B3.43820e-01
Coefficient C-1.89700e-04
Coefficient D3.49600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 99.64 J/mol×K 273.00 Calculated Property
Cp,gas 118.64 J/mol×K 353.78 Calculated Property
Cp,gas 135.66 J/mol×K 434.56 Calculated Property
Cp,gas 150.79 J/mol×K 515.33 Calculated Property
Cp,gas 164.15 J/mol×K 596.11 Calculated Property
Cp,gas 175.85 J/mol×K 676.89 Calculated Property
Cp,gas 186.01 J/mol×K 757.67 Calculated Property
Cp,gas 194.72 J/mol×K 838.44 Calculated Property
Cp,gas 202.11 J/mol×K 919.22 Calculated Property
Cp,gas 208.28 J/mol×K 1000.00 Calculated Property

Similar Compounds

Acetamide, N-methyl-. 2-Chloro-N-ethylacetamide. N-(methyl)mercaptoacetamide. Acetamide, N-ethyl-. Propanamide, N-methyl-. Methyl N-chloroacetylcarbamate. Chloroacetamide, N-ethyl-N-methyl-. Glycine, N-acetyl-. Acetamide, 2,2,2-trifluoro-N-methyl-. Acetamide, 2-chloro-N,N-diethyl-. 2-(Acetylamino)-N-methylethanamide. Acetamide, N-(2-hydroxyethyl)-. N,N-Dimethylacetamide. Acetamide, 2-chloro-. BIS(2-CHLOROETHYL)AMINE.

Find more compounds similar to 2-Chloro-N-methylacetamide.

Sources

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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