Chemical Properties of Diethylmalonic acid, propyl 1,1,1-trifluoroprop-2-yl ester

Diethylmalonic acid, propyl 1,1,1-trifluoroprop-2-yl ester

InChI
InChI=1S/C13H21F3O4/c1-5-8-19-10(17)12(6-2,7-3)11(18)20-9(4)13(14,15)16/h9H,5-8H2,1-4H3
InChI Key
DZFQJFWLMLPZFU-UHFFFAOYSA-N
Formula
C13H21F3O4
SMILES
CCCOC(=O)C(CC)(CC)C(=O)OC(C)C(F)(F)F
Molecular Weight1
298.30
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Physical Properties

Property Value Unit Source
ΔfH°gas -1570.78 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 25.89 kJ/mol Joback Calculated Property
ΔvapH° 66.70 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.240 Crippen Calculated Property
McVol 214.220 ml/mol McGowan Calculated Property
Pc 1648.43 kPa Joback Calculated Property
Inp 1247.00 NIST
Tboil 491.52 K Relay (1.0) Calculated Property
Tc 655.93 K Relay (1.0) Calculated Property
Tfus 274.64 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [598.45; 674.93] J/mol×K [640.33; 815.51] Show Hide
Cp,gas 598.45 J/mol×K 640.33 Joback Calculated Property
Cp,gas 613.10 J/mol×K 669.53 Joback Calculated Property
Cp,gas 626.95 J/mol×K 698.72 Joback Calculated Property
Cp,gas 640.04 J/mol×K 727.92 Joback Calculated Property
Cp,gas 652.38 J/mol×K 757.11 Joback Calculated Property
Cp,gas 664.00 J/mol×K 786.31 Joback Calculated Property
Cp,gas 674.93 J/mol×K 815.51 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to Diethylmalonic acid, propyl 1,1,1-trifluoroprop-2-yl ester.

Sources

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