CCCCC=O (pentanal)
Measured Cetane number: 62.2
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: 64.0
Similar Molecules
SMILES: CCC(CC)COCC(CC)CC
Cetane number (measured): 70.82
SMILES: CCCCCCCCC=CCCCCCCCC(=O)OC(C)C
Cetane number (measured): 86.6
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC(C)C
Cetane number (measured): 63.22
SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C
Cetane number (measured): 60.0
SMILES: CCCCCCCCCC
Cetane number (measured): 65.5
SMILES: CCCCCCCCCCCCC1=CC=CC=C1
Cetane number (measured): 68.0
SMILES: CCCCCCCCCCCCCCCC(CCCC)C1CCCCC1
Cetane number (measured): 65.815
SMILES: CCCCCCCCC
Cetane number (measured): 60.9
SMILES: CCCCCCCCCCCC(=O)OCC
Cetane number (measured): 65.165
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCCCC
Cetane number (measured): 59.8