CC1CCC(C(C1)C)C (1,2,4-trimethylcyclohexane)
Measured Cetane number: 24.4
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: 24.2
Similar Molecules
SMILES: CC1CCCC=C1
Cetane number (measured): 24.74
SMILES: CC1CCCCC1C
Cetane number (measured): 24.0
SMILES: CC1=CCCCC1
Cetane number (measured): 24.55
SMILES: CC1CCC=CC1
Cetane number (measured): 25.82
SMILES: C1/C=C\CC/C=C\C1
Cetane number (measured): 25.7
SMILES: C1CC=CCCC=C1
Cetane number (measured): 25.7
SMILES: CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C
Cetane number (measured): 24.04
SMILES: CC(=CCCC(=CCCC(=CCO)C)C)C
Cetane number (measured): 24.0
SMILES: C1CC(CC=C1)C=O
Cetane number (measured): 28.1
SMILES: C1CC=COC1
Cetane number (measured): 23.9