Click to view a free sample

Predicted properties of the compound entered.

ID AAOCYYNWPPNCHD-VAWYXSNFSA-N
Formula C15H26O4
IUPAC Name 1,3-diethyl 2-ethyl-2-[(1E)-hex-1-en-1-yl]propanedioate
SMILES
Standard InChI
Standard InChIKey
Cite this record
Copied
Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C15H26O4/c1-5-9-10-11-12-15(6-2,13(16)18-7-3)14(17)19-8-4/h11-12H,5-10H2,1-4H3/b12-11+
Standard InChIKey (User Input) InChIKey=AAOCYYNWPPNCHD-VAWYXSNFSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers diethyl 2-ethyl-2-hex-1-enylpropanedioate | diethyl 2-ethyl-2-[(E)-hex-1-enyl]propanedioate | diethyl 2-ethyl-2-hex-1-enyl-propanedioate | 2-ethyl-2-[(E)-hex-1-enyl]propanedioic acid diethyl ester | 2-ethyl-2-hex-1-enylpropanedioic acid diethyl ester | 2-ethyl-2-hex-1-enyl-malonic acid diethyl ester | 2-ethyl-2-[(E)-hex-1-enyl]malonic acid diethyl ester | NSC408261
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.

Mol-Instincts Database

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