Chemical Properties of 1-(tert-Butoxy)propan-2-yl 2,3,4,5,6-pentafluorobenzoate

1-(tert-Butoxy)propan-2-yl 2,3,4,5,6-pentafluorobenzoate

InChI
InChI=1S/C14H15F5O3/c1-6(5-21-14(2,3)4)22-13(20)7-8(15)10(17)12(19)11(18)9(7)16/h6H,5H2,1-4H3
InChI Key
MBGGJCWXZKBQBZ-UHFFFAOYSA-N
Formula
C14H15F5O3
SMILES
CC(COC(C)(C)C)OC(=O)c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
326.26
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Physical Properties

Property Value Unit Source
Δfus 32.55 kJ/mol Joback Calculated Property
IE 9.53 eV Relay (1.0) Calculated Property
logPoct/wat 3.742 Crippen Calculated Property
McVol 206.520 ml/mol McGowan Calculated Property
Inp [1439.00; 1439.00]   Show Hide
Inp 1439.00 NIST
Inp 1439.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [562.13; 630.10] J/mol×K [662.69; 841.51] Show Hide
Cp,gas 562.13 J/mol×K 662.69 Joback Calculated Property
Cp,gas 575.09 J/mol×K 692.49 Joback Calculated Property
Cp,gas 587.40 J/mol×K 722.30 Joback Calculated Property
Cp,gas 599.04 J/mol×K 752.10 Joback Calculated Property
Cp,gas 610.04 J/mol×K 781.91 Joback Calculated Property
Cp,gas 620.39 J/mol×K 811.71 Joback Calculated Property
Cp,gas 630.10 J/mol×K 841.51 Joback Calculated Property

Similar Compounds

1-((1-Methoxypropan-2-yl)oxy)propan-2-yl 2,3,4,5,6-pentafluorobenzoate. 1-Propoxypropan-2-yl 2,3,4,5,6-pentafluorobenzoate. 1-Butoxypropan-2-yl 2,3,4,5,6-pentafluorobenzoate. 1-((1-Butoxypropan-2-yl)oxy)propan-2-yl 2,3,4,5,6-pentafluorobenzoate. 2-Butoxyethyl 2,3,4,5,6-pentafluorobenzoate. 2-(2-Butoxyethoxy)ethyl 2,3,4,5,6-pentafluorobenzoate. 2-(2-(2-Butoxyethoxy)ethoxy)ethyl 2,3,4,5,6-pentafluorobenzoate. 1-tert-Butoxypropan-2-yl 4-chlorobenzoate. 2-Ethoxyethyl 2,3,4,5,6-pentafluorobenzoate. 2-(2-Ethoxyethoxy)ethyl 2,3,4,5,6-pentafluorobenzoate. 3-Methylbutan-2-yl 2,3,4,5,6-pentafluorobenzoate. Oxybis(ethane-2,1-diyl) bis(2,3,4,5,6-pentafluorobenzoate). 2-(2-Methoxyethoxy)ethyl 2,3,4,5,6-pentafluorobenzoate. Pentafluorobenzoic acid, 2-butyl ester. 2,5,8,11-Tetraoxatridecan-13-yl 2,3,4,5,6-pentafluorobenzoate.

Find more compounds similar to 1-(tert-Butoxy)propan-2-yl 2,3,4,5,6-pentafluorobenzoate.

Sources

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