Chemical Properties of Carbofuran 3-keto (CAS 16709-30-1)

Carbofuran 3-keto

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InChI
InChI=1S/C12H13NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6H,1-3H3,(H,13,15)
InChI Key
WXNZYYXXILQTKX-UHFFFAOYSA-N
Formula
C12H13NO4
SMILES
CNC(=O)Oc1cccc2c1OC(C)(C)C2=O
Molecular Weight1
235.24
CAS
16709-30-1
Other Names
  • 3(2H)-Benzofuranone, 2,2-dimethyl-7-(((methylamino)carbonyl)oxy)-
  • 3-Ketocarbofuran
  • Carbamic acid, methyl-, ester with 2,2-dimethyl-7-hydroxy-3(2H)-benzofuranone
Sources

Physical Properties

Property Value Unit Source
Δf -154.67 kJ/mol Joback Calculated Property
Δfgas -450.41 kJ/mol Joback Calculated Property
Δfus 27.31 kJ/mol Joback Calculated Property
Δvap 69.02 kJ/mol Joback Calculated Property
logPoct/wat 1.76 Crippen Calculated Property
Pc 3055.79 kPa Joback Calculated Property
Tboil 738.81 K Joback Calculated Property
Tc 976.89 K Joback Calculated Property
Tfus 537.91 K Joback Calculated Property
Vc 0.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 480.09 J/mol×K 738.81 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-O- (ring) 1
>C=O (nonring) 1
=CH- (ring) 3
=C< (ring) 3
>NH 1
>C< (ring) 1
>C=O (ring) 1
-CH3 3

Similar Compounds

3(2H)-Benzofuranone, 7-hydroxy-2,2-dimethyl-. Carbofurane. 3-Hydroxycarbofuran. Carbosulfan. Benzofuran deriv (herz). Rotenone. 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-. Griseofulvin. 3,7-Benzofurandiol, 2,3-dihydro-2,2-dimethyl-. Dihydromorphinone acetate. Nicodicodine. Morphinan-3,6-«alpha»-diol, 7,8-didehydro-4,5-«alpha»-epoxy-17-methyl-, acetate. Morphine-3-acetate. narwedine. Dihydrocodeine.

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