Chemical Properties of 2-Octanone, 8-(3,4-methylenedioxyphenyl)

2-Octanone, 8-(3,4-methylenedioxyphenyl)

InChI
InChI=1S/C15H20O3/c1-12(16)6-4-2-3-5-7-13-8-9-14-15(10-13)18-11-17-14/h8-10H,2-7,11H2,1H3
InChI Key
DBBLBCCPXKEKRW-UHFFFAOYSA-N
Formula
C15H20O3
SMILES
CC(=O)CCCCCCc1ccc2c(c1)OCO2
Molecular Weight1
248.32
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Physical Properties

Property Value Unit Source
ΔfusH° 42.49 kJ/mol Joback Calculated Property
IE 7.99 eV Relay (1.0) Calculated Property
log10WS -4.12 Relay (1.0) Calculated Property
logPoct/wat 3.497 Crippen Calculated Property
McVol 200.900 ml/mol McGowan Calculated Property
Inp [2017.00; 2017.00]   Show Hide
Inp 2017.00 NIST
Inp 2017.00 NIST
Tboil 613.56 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [564.77; 643.42] J/mol×K [698.42; 908.87] Show Hide
Cp,gas 564.77 J/mol×K 698.42 Joback Calculated Property
Cp,gas 580.01 J/mol×K 733.49 Joback Calculated Property
Cp,gas 594.32 J/mol×K 768.57 Joback Calculated Property
Cp,gas 607.75 J/mol×K 803.64 Joback Calculated Property
Cp,gas 620.37 J/mol×K 838.72 Joback Calculated Property
Cp,gas 632.24 J/mol×K 873.79 Joback Calculated Property
Cp,gas 643.42 J/mol×K 908.87 Joback Calculated Property
η [0.0003229; 0.0019583] Pa×s [435.52; 698.42] Show Hide
η 0.0019583 Pa×s 435.52 Joback Calculated Property
η 0.0012641 Pa×s 479.34 Joback Calculated Property
η 0.0008780 Pa×s 523.15 Joback Calculated Property
η 0.0006452 Pa×s 566.97 Joback Calculated Property
η 0.0004956 Pa×s 610.79 Joback Calculated Property
η 0.0003943 Pa×s 654.60 Joback Calculated Property
η 0.0003229 Pa×s 698.42 Joback Calculated Property

Similar Compounds

2-Hexanone, 6-(3,4-methylenedioxyphenyl). 1-(3,4-Dimethoxyphenyl)decan-3-one. 1-(3,4-Dimethoxyphenyl)heptan-3-one. 1-(3,4-Dimethoxyphenyl)hexan-3-one. 3-Decanone, 1-(4-hydroxy-3-methoxyphenyl)-. 1-(4-Hydroxy-3-methoxyphenyl)dodecan-3-one. 1-(4-Hydroxy-3-methoxyphenyl)tetradecan-3-one. 4-(3,4-Methylenedioxyphenyl)-2-butanone. 1-(4-Hydroxy-3-methoxyphenyl)hexadecane-3,5-dione. 1-(4-Hydroxy-3-methoxyphenyl)dodecane-3,5-dione. Methyl 4-(3,4-methylenedioxyphenyl)butanoate. 3,5-Heptanedione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-. 1-(3,4-Dimethoxyphenyl)pentan-3-one. 1-(3,4-Dimethoxyphenyl)-5-methoxyundecan-3-one. 1-(3,4-Dimethoxyphenyl)-5-methoxydecan-3-one.

Find more compounds similar to 2-Octanone, 8-(3,4-methylenedioxyphenyl).

Sources

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