CCCCC1CCCCC(=O)O1 (7-butyloxepan-2-one)
Measured Cetane number: 40.5
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: 40.2
Similar Molecules
SMILES: C1CCOCC1
Cetane number (measured): 38.2
SMILES: CCCCCCC(CCCCCC)c1ccccc1
Cetane number (measured): 40.625
SMILES: C=CC1CCCCC1
Cetane number (measured): 38.0
SMILES: CCCCCCCC(=O)OCC
Cetane number (measured): 42.06
SMILES: CCCCCCCCC(CCC)C1=CC=CC=C1
Cetane number (measured): 42.0
SMILES: CCCCOCCO
Cetane number (measured): 41.0
SMILES: CCCCCCCC(=O)OCCC
Cetane number (measured): 42.585
SMILES: CCCCC(=O)CCCC
Cetane number (measured): 39.74
SMILES: CCC(O)OCCCOC
Cetane number (measured): 43.9
SMILES: CCCCCC(=O)CCC
Cetane number (measured): 43.09