Chemical Properties of 2-Ethylbutyric acid, pentafluorophenyl ester

2-Ethylbutyric acid, pentafluorophenyl ester

InChI
InChI=1S/C12H11F5O2/c1-3-5(4-2)12(18)19-11-9(16)7(14)6(13)8(15)10(11)17/h5H,3-4H2,1-2H3
InChI Key
KSUBCWUYTDAQEG-UHFFFAOYSA-N
Formula
C12H11F5O2
SMILES
CCC(CC)C(=O)Oc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
282.21
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Physical Properties

Property Value Unit Source
Δfus 35.18 kJ/mol Joback Calculated Property
IE 9.24 eV Relay (1.0) Calculated Property
logPoct/wat 3.724 Crippen Calculated Property
McVol 172.470 ml/mol McGowan Calculated Property
Inp [1219.00; 1219.00]   Show Hide
Inp 1219.00 NIST
Inp 1219.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [429.09; 490.87] J/mol×K [579.87; 750.73] Show Hide
Cp,gas 429.09 J/mol×K 579.87 Joback Calculated Property
Cp,gas 440.64 J/mol×K 608.35 Joback Calculated Property
Cp,gas 451.69 J/mol×K 636.82 Joback Calculated Property
Cp,gas 462.24 J/mol×K 665.30 Joback Calculated Property
Cp,gas 472.29 J/mol×K 693.77 Joback Calculated Property
Cp,gas 481.83 J/mol×K 722.25 Joback Calculated Property
Cp,gas 490.87 J/mol×K 750.73 Joback Calculated Property

Similar Compounds

Cyclohexanecarboxylic acid, pentafluorophenyl ester. 2-Ethylbutyric acid, 2,3,4-trifluorophenyl ester. Dodecanoic acid, pentafluorophenyl ester. Nonanoic acid, pentafluorophenyl ester. 3-Cyclopentylpropionic acid, pentafluorophenyl ester. Diethylmalonic acid, dipentafluorophenyl ester. Isovaleric acid, pentafluorophenyl ester. Sebacic acid, di(pentafluorophenyl) ester. 2-Ethylbutyric acid, 2-fluorophenyl ester. 2-Ethylbutyric acid, 3-fluorophenyl ester. 6-Chlorohexanoic acid, pentafluorophenyl ester. Diethylmalonic acid, ethyl pentafluorophenyl ester. 2-Ethylbutyric acid, 2-chloro-6-fluorophenyl ester. Glutaric acid, dipentafluorophenyl ester. Cyclobutanecarboxylic acid, 3,5-difluorophenyl ester.

Find more compounds similar to 2-Ethylbutyric acid, pentafluorophenyl ester.

Sources

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