CC1=CC(=CC=C1)C (1,3-xylene)
Measured Cetane number: 7.0
Measured using ASTM D6890 IQT. Reference: Abdul Jameel, A.G., Naser, N., Emwas, A.H., Dooley, S. and Sarathy, S.M., 2016. Predicting fuel ignition quality using 1H NMR spectroscopy and multiple linear regression. Energy & Fuels, 30(11), pp.9819-9835.
Estimated Cetane number: 7.1
Similar Molecules
SMILES: CC1=CC(=CC(=C1)C)C
Cetane number (measured): 8.0
SMILES: Cc1ccc(C)cc1
Cetane number (measured): 6.195
SMILES: CC1=CC(=C(C=C1)C)C
Cetane number (measured): 8.9
SMILES: CC1=CC=CC=C1C
Cetane number (measured): 8.0
SMILES: CC1=CC=C(C=C1)OC
Cetane number (measured): 7.4
SMILES: CCc1ccccc1
Cetane number (measured): 6.295
SMILES: CCCC1=CC2=C(CCCC2)C=C1
Cetane number (measured): 8.0
SMILES: CC1=CC=CC=C1
Cetane number (measured): 6.0
SMILES: C1=CC=C(C=C1)COCC2=CC=CC=C2
Cetane number (measured): 8.1
SMILES: CCCC1CCCC2=CC=CC=C12
Cetane number (measured): 7.88