Chemical Properties of Alachlor (CAS 15972-60-8)

Alachlor

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InChI
InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3
InChI Key
XCSGPAVHZFQHGE-UHFFFAOYSA-N
Formula
C14H20ClNO2
SMILES
CCc1cccc(CC)c1N(COC)C(=O)CCl
Molecular Weight1
269.77
CAS
15972-60-8
Other Names
  • 2-Chloro-2',6'-diethyl-N-(methoxymethyl)acetanilide
  • 2-Chloro-N-(2,6-diethyl)phenyl-N-methoxymethylacetamide
  • 2-chloro-N-(methoxymethyl)-N-(2,6-diethyl-phenyl)-acetamide
  • Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)-
  • Acetanilide, 2-chloro-2',6'-diethyl-N-(methoxymethyl)-
  • Alachlore
  • Alanex
  • Alanox
  • Alatox 480
  • Alazine
  • Alochlor
  • CP 50144
  • Chloressigsaeure-N-(methoxymethyl)-2,6-diaethylanilid
  • Lasagrin
  • Lasso
  • Lasso micro-tech
  • Lazo
  • Metachlor
  • Methachlor
  • Pillarzo
  • alachlor [2-chloro-N-(methoxymethyl)-N-(2',6'-diethyl-phenyl)-acetamide]
Sources

Physical Properties

Property Value Unit Source
Δf 25.08 kJ/mol Joback Calculated Property
Δfgas -311.71 kJ/mol Joback Calculated Property
Δfus 35.28 kJ/mol Joback Calculated Property
Δvap 65.94 kJ/mol Joback Calculated Property
logPoct/wat 2.99 Crippen Calculated Property
Pc 1968.30 kPa Joback Calculated Property
Tboil 682.52 K Joback Calculated Property
Tc 885.67 K Joback Calculated Property
Tfus 316.71 ± 0.20 K NIST
Tfus 315.00 ± 0.20 K NIST
Vc 0.80 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 561.02 J/mol×K 682.52 Joback Calculated Property
ΔfusH 25.31 kJ/mol 315.9 NIST
ΔfusH 26.70 kJ/mol 317.7 NIST
ΔvapH 85.00 ± 1.00 kJ/mol 436.0 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-Cl 1
=CH- (ring) 3
>N- 1
=C< (ring) 3
-CH2- 4
-CH3 3
>C=O (nonring) 1

Similar Compounds

Butachlor. Pretilachlor. Pretilachlor. Glycine, n-(chloroacetyl)-n-(2,6-diethylphenyl)-, ethyl ester. Acetamide, 2-chloro-n-(2,6-diethylphenyl)-. 1-chloroacetyl-2,3-dihydro-7-ethylindole. Acetanilide, 2,4-di-tert-butyl-n-methyl-. Pyroquilon. 2-hydroxy-2',6'-diethyl-N-acetanilide. Glutarimide, N-(2-ethylphenyl)-. 1,2,3,4-Tetrahydroquinoline, n-trifluoroacetyl-. 2,6-Diethylaniline, N,N-bis(pentafluoropropionyl). Julolidine. Acetanilide, 2-tert-butyl-6-methyl-. 1-Ethyloxindole.

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