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Predicted properties of the compound entered.

ID GEKKUSSAXTZUCW-UHFFFAOYSA-N
Formula C38H70OS
IUPAC Name 1-(4-methyl-5-nonadecylthiophen-2-yl)tetradecan-1-one
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C38H70OS/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-25-27-29-31-33-37-35(3)34-38(40-37)36(39)32-30-28-26-24-22-15-13-11-9-7-5-2/h34H,4-33H2,1-3H3
Standard InChIKey (User Input) InChIKey=GEKKUSSAXTZUCW-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 1-(4-methyl-5-nonadecylthiophen-2-yl)tetradecan-1-one | 1-(4-methyl-5-nonadecyl-2-thienyl)tetradecan-1-one | 1-(4-methyl-5-nonadecyl-thiophen-2-yl)tetradecan-1-one | 1-(4-Methyl-5-nonadecyl-2-thienyl)-1-tetradecanone | 1-Tetradecanone, 1-(4-methyl-5-nonadecyl-2-thienyl)-
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 -
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