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Predicted properties of the compound entered.

ID AAGNGQHUXRGJEP-UHFFFAOYSA-N
Formula C8H12O6
IUPAC Name 1,2-bis(acetyloxy)ethyl acetate
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C8H12O6/c1-5(9)12-4-8(13-6(2)10)14-7(3)11/h8H,4H2,1-3H3
Standard InChIKey (User Input) InChIKey=AAGNGQHUXRGJEP-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 1,2-diacetyloxyethyl acetate | 1,2-diacetoxyethyl acetate | acetic acid 1,2-diacetoxyethyl ester | 1,2-diacetyloxyethyl ethanoate | 2983-35-9 | NSC82619 | ZINC01688405 | 1,1,2-Ethanetriol, triacetate | 1,1,2-Triacetoxyethane | EINECS 221-041-2 | Ethylylidene triacetate
This prediction is based on QSPR only and is the first basic approximate estimation.
For more property data (~2,100 data sets per compound) with higher accuracy , try our new database.
Mol-Instincts Database
 
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 - - -
For professional applications, try our new chemical database based on quantum mechanics - more property data (~2,100 data sets per compound) with higher accuracy.

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1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
All prediction -