CCCC(C)CC (3-methylhexane)
Measured Cetane number: 42.0
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: 42.1
Similar Molecules
SMILES: CC[C@H](CC(C)C)[C@H](CC)CC(C)C
Cetane number (measured): 39.38
SMILES: CCC(CC(C)C)C(CC)CC(C)C
Cetane number (measured): 39.0
SMILES: CCCCCCCCC(CCC)C1=CC=CC=C1
Cetane number (measured): 42.0
SMILES: CCC(C)CC(C)C
Cetane number (measured): 38.36
SMILES: CCCCCCC(CCCCCC)c1ccccc1
Cetane number (measured): 40.625
SMILES: CCCCCCCC1=CC=CC=C1
Cetane number (measured): 43.68
SMILES: CCCCCC[C@@H](C)/C=C/[C@H](C)CCCCCC
Cetane number (measured): 42.88
SMILES: CCCCCCC(C)C=CC(C)CCCCCC
Cetane number (measured): 43.0
SMILES: CCCCC(C)C
Cetane number (measured): 43.5
SMILES: CCC=CCC=CCC=CCCCCCCCCO
Cetane number (measured): 41.0