Chemical Properties of Diethylmalonic acid, pentadecyl 2,4,5-trifluorobenzyl ester

Diethylmalonic acid, pentadecyl 2,4,5-trifluorobenzyl ester

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InChI
InChI=1S/C29H45F3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-35-27(33)29(5-2,6-3)28(34)36-22-23-20-25(31)26(32)21-24(23)30/h20-21H,4-19,22H2,1-3H3
InChI Key
KHKZMXBSYZBBCM-UHFFFAOYSA-N
Formula
C29H45F3O4
SMILES
CCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1cc(F)c(F)cc1F
Molecular Weight1
514.66
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Physical Properties

Property Value Unit Source
Δf -772.61 kJ/mol Joback Calculated Property
Δfgas -1526.45 kJ/mol Joback Calculated Property
Δfus 71.14 kJ/mol Joback Calculated Property
Δvap 98.97 kJ/mol Joback Calculated Property
log10WS -10.04 Crippen Calculated Property
logPoct/wat 8.588 Crippen Calculated Property
McVol 415.900 ml/mol McGowan Calculated Property
Pc 714.92 kPa Joback Calculated Property
Inp 2962.00 NIST
Tboil 1051.70 K Joback Calculated Property
Tc 1304.96 K Joback Calculated Property
Tfus 629.08 K Joback Calculated Property
Vc 1.643 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1451.16; 1536.48] J/mol×K [1051.70; 1304.96] Show Hide
Cp,gas 1451.16 J/mol×K 1051.70 Joback Calculated Property
Cp,gas 1469.82 J/mol×K 1093.91 Joback Calculated Property
Cp,gas 1486.55 J/mol×K 1136.12 Joback Calculated Property
Cp,gas 1501.47 J/mol×K 1178.33 Joback Calculated Property
Cp,gas 1514.69 J/mol×K 1220.54 Joback Calculated Property
Cp,gas 1526.32 J/mol×K 1262.75 Joback Calculated Property
Cp,gas 1536.48 J/mol×K 1304.96 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, hexadecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, octadecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, 2,4,5-trifluorobenzyl undecyl ester. Diethylmalonic acid, decyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, dodecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, tetradecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, heptadecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, octyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, tridecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, hexyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, pentyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, butyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, propyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, isobutyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, 3,4-difluorobenzyl nonyl ester.

Find more compounds similar to Diethylmalonic acid, pentadecyl 2,4,5-trifluorobenzyl ester.

Sources

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