Chemical Properties of Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octyl ester

Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octyl ester

InChI
InChI=1S/C18H30BrF3O4/c1-4-7-8-9-10-11-12-25-15(23)17(5-2,6-3)16(24)26-14(13-19)18(20,21)22/h14H,4-13H2,1-3H3
InChI Key
DGRUBQWADMNGID-UHFFFAOYSA-N
Formula
C18H30BrF3O4
SMILES
CCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
447.33
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Physical Properties

Property Value Unit Source
ΔfusH° 44.12 kJ/mol Joback Calculated Property
log10WS -5.62 Relay (1.0) Calculated Property
logPoct/wat 5.566 Crippen Calculated Property
McVol 302.170 ml/mol McGowan Calculated Property
Inp [1937.00; 1937.00]   Show Hide
Inp 1937.00 NIST
Inp 1937.00 NIST
Tboil 597.21 K Relay (1.0) Calculated Property
Tfus 303.35 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, Ionization energy 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 [922.16; 1000.25] J/mol×K [820.89; 1010.26] Show Hide
Cp,gas 922.16 J/mol×K 820.89 Joback Calculated Property
Cp,gas 937.37 J/mol×K 852.45 Joback Calculated Property
Cp,gas 951.63 J/mol×K 884.01 Joback Calculated Property
Cp,gas 965.00 J/mol×K 915.57 Joback Calculated Property
Cp,gas 977.53 J/mol×K 947.14 Joback Calculated Property
Cp,gas 989.26 J/mol×K 978.70 Joback Calculated Property
Cp,gas 1000.25 J/mol×K 1010.26 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl decyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl dodecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tetradecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl nonyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl undecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tridecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl propyl ester. Diethylmalonic acid, tetradecyl 1,1,1-trifluoroprop-2-yl ester.

Find more compounds similar to Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octyl ester.

Sources

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