CCCCC1=CC=CC=C1 (butylbenzene)
Measured Cetane number: 12.0
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: 11.8
Similar Molecules
SMILES: CCCCCCC(CC)(CC)c1ccc2ccccc2c1
Cetane number (measured): 13.065
SMILES: CCCCC(C)(CCCC)c1ccc2ccccc2c1
Cetane number (measured): 12.125
SMILES: CCCCC1=CC=CO1
Cetane number (measured): 13.1
SMILES: CCC(C)OC(C)CC
Cetane number (measured): 12.92
SMILES: CC(C)CCO
Cetane number (measured): 12.95
SMILES: CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C
Cetane number (measured): 15.0
SMILES: CC(C)CC(=O)C
Cetane number (measured): 12.6
SMILES: CC1CC(=O)CC(C1)(C)C
Cetane number (measured): 11.9
SMILES: CCCCC1=CC=C(C=C1)CCCC
Cetane number (measured): 15.07
SMILES: CCC(C)CO
Cetane number (measured): 11.36