C1CCOCC1 (oxane)
Measured Cetane number: 38.2
Measured using ASTM D6890 IQT. Reference: Dahmen, M. and Marquardt, W., 2015. A novel group contribution method for the prediction of the derived cetane number of oxygenated hydrocarbons. Energy & Fuels, 29(9), pp.5781-5801.
Estimated Cetane number: 37.6
Similar Molecules
SMILES: C1CC[C@@H]2CCCC[C@@H]2C1
Cetane number (measured): 39.4
SMILES: C1CCC2CCCCC2C1
Cetane number (measured): 37.4
SMILES: C1CC[C@H]2CCCC[C@@H]2C1
Cetane number (measured): 31.8
SMILES: C=CC1CCCCC1
Cetane number (measured): 38.0
SMILES: C1CCC2C(C1)CCC3C2CCCC3
Cetane number (measured): 38.8
SMILES: CCC[C@@H](CC)C1CCCCC1
Cetane number (measured): 35.88
SMILES: CCC/C=C\CCC
Cetane number (measured): 36.55
SMILES: CCCCC1CCCCC(=O)O1
Cetane number (measured): 40.5
SMILES: CCCCC=CCC
Cetane number (measured): 36.0
SMILES: CCCC/C=C\CC
Cetane number (measured): 38.1