Database Results

Page 8 of 1850 compounds

ISOBUTYL-tert-BUTYL ETHER Structure

ISOBUTYL-tert-BUTYL ETHER

Acyclic ethers

CAS Number

33021-02-2

SMILES String

CC(C)COC(C)(C)C

Chemical Properties

Property Measured Predicted
Research Octane Number (-) - 107.5
Motor Octane Number (-) - 88.55
Cetane Number (-) - 47.09
Derived Cetane Number (-) - 28.27
Yield Sooting Index (-) - 57.74
Upper Flammability Limit (vol.%) 7.06 7.034
Lower Flammability Limit (vol.%) 0.916 0.9273
Lower Heating Value (kJ/mol) -4917 -5022

Physical Properties

Property Measured Predicted
Density (g/cm3@15~30°C) - 0.7716
Boiling Point (°C) 112.9 118.3
Melting Point (°C) - -53.81
Viscosity (mPa*s@20°C) - 0.7526
Enthalpy of Vaporization (kJ/mol@25°C) 40.5 40.45
Standard Enthalpy of Formation (kJ/mol@25°C) - -333.4
Vapor Pressure (kPa@25°C) - 2.9
Surface Tension (dyne/cm@25°C) - 19.28
Flash Point (°C) -17.8 -4.517
Page 8 of 1850