COC1=CC=C(C=C1)C=O (4-methoxybenzaldehyde)
Measured Cetane number: 25.8
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: 8.8
Similar Molecules
SMILES: COc1ccccc1OC
Cetane number (measured): 9.8
SMILES: Cc1cccc(C)c1C
Cetane number (measured): 10.12
SMILES: CC1=CC=C(C=C1)OC
Cetane number (measured): 7.4
SMILES: CC1=CC(=C(C=C1)C)C
Cetane number (measured): 8.9
SMILES: CC1=CC=CC=C1C
Cetane number (measured): 8.0
SMILES: CCCC1=CC=C(C=C1)OC
Cetane number (measured): 7.5
SMILES: CC1=CC=C(O1)C
Cetane number (measured): 10.9
SMILES: COC(C1=CC=CC=C1)OC
Cetane number (measured): 10.4
SMILES: CCOC(=O)CC(=O)C
Cetane number (measured): 13.7
SMILES: C1=CC=C(C=C1)CCO
Cetane number (measured): 8.0