CC(=C)CC(C)(C)C (2,4,4-trimethylpent-1-ene)
Measured Cetane number: 8.8
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: 5.7
Similar Molecules
SMILES: C=C(CC(C)(C)C)CC(C)(C)CC(C)(C)C
Cetane number (measured): 5.0
SMILES: CC[C@H](C)C1CCCc2ccccc12
Cetane number (measured): 6.83
SMILES: C1CCCC1
Cetane number (measured): 6.1
SMILES: CC(C)C1=CC(=CC=C1)C(C)C
Cetane number (measured): -3.0
SMILES: CCCC1=CC2=C(CCCC2)C=C1
Cetane number (measured): 8.0
SMILES: CCC1=CC(=CC(=C1)CC)CC
Cetane number (measured): 7.6
SMILES: CCC1=CC(=CC=C1)CC
Cetane number (measured): 5.0
SMILES: CCc1ccccc1
Cetane number (measured): 6.295
SMILES: CCCC1CCCC2=CC=CC=C12
Cetane number (measured): 7.88
SMILES: Cc1ccco1
Cetane number (measured): 9.05