CC1CCC(C(C1)OC(=O)C)C(C)C ((1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl acetate)
Measured Cetane number: 19.5
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: 17.9
Similar Molecules
SMILES: CCC1OCC(O1)C
Cetane number (measured): 17.54
SMILES: CCCCC(=O)OCC
Cetane number (measured): 18.6
SMILES: CC1(C2CCC(O1)(CC2)C)C
Cetane number (measured): 18.8
SMILES: CCCCC(=O)OCCC
Cetane number (measured): 20.7
SMILES: C[C@@H]1CC[C@H](C(=O)C1)C(C)C
Cetane number (measured): 20.6
SMILES: CC1CCC(C(=O)C1)C(C)C
Cetane number (measured): 20.6
SMILES: CCCCC/C=C\C=C\C(=O)OCC
Cetane number (measured): 18.72
SMILES: CC(=O)OCC1CCCO1
Cetane number (measured): 18.2
SMILES: CCCCOC(=O)CCC
Cetane number (measured): 17.9
SMILES: CCOC(=O)C(C)OCC
Cetane number (measured): 23.1