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Predicted properties of the compound entered.

ID AAOSLLBWWRKJIR-UHFFFAOYSA-N
Formula C6H10ClNO
IUPAC Name 2-chloro-1-(pyrrolidin-1-yl)ethan-1-one
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C6H10ClNO/c7-5-6(9)8-3-1-2-4-8/h1-5H2
Standard InChIKey (User Input) InChIKey=AAOSLLBWWRKJIR-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 2-chloro-1-pyrrolidin-1-ylethanone | 2-Chloro-1-pyrrolidin-1-yl-ethanone | 2-chloro-1-1-pyrrolidinylethanone | 20266-00-6 | ZINC03289322 | 1-(Chloroacetyl)pyrrolidine | AI3-36314 | EINECS 243-658-6 | Pyrrolidine, 1-(chloroacetyl)- | SBB005370
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
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