Chemical Properties of Isopentyl 2,3,4,5,6-pentafluorobenzoate (CAS 99483-16-6)

Isopentyl 2,3,4,5,6-pentafluorobenzoate

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InChI
InChI=1S/C12H11F5O2/c1-5(2)3-4-19-12(18)6-7(13)9(15)11(17)10(16)8(6)14/h5H,3-4H2,1-2H3
InChI Key
GMWUXUNXUBNVOC-UHFFFAOYSA-N
Formula
C12H11F5O2
SMILES
CC(C)CCOC(=O)c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
282.21
CAS
99483-16-6
Other Names
  • Pentafluorobenzoic acid, 3-methylbutyl ester
  • 3-methylbutyl pentafluorobenzoate
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Physical Properties

Property Value Unit Source
Δf -1095.99 kJ/mol Joback Calculated Property
Δfgas -1342.46 kJ/mol Joback Calculated Property
Δfus 33.60 kJ/mol Joback Calculated Property
Δvap 52.58 kJ/mol Joback Calculated Property
log10WS -4.80 Crippen Calculated Property
logPoct/wat 3.585 Crippen Calculated Property
McVol 172.470 ml/mol McGowan Calculated Property
Pc 1915.26 kPa Joback Calculated Property
Inp [1283.00; 1308.00]   Show Hide
Inp 1283.00 NIST
Inp 1286.00 NIST
Inp 1285.00 NIST
Inp 1308.00 NIST
Inp 1307.00 NIST
Inp 1285.00 NIST
I [1541.00; 1566.00]   Show Hide
I 1559.00 NIST
I 1558.00 NIST
I 1541.00 NIST
I 1566.00 NIST
Tboil 597.74 K Joback Calculated Property
Tc 771.09 K Joback Calculated Property
Tfus 374.13 K Joback Calculated Property
Vc 0.708 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [433.19; 494.19] J/mol×K [597.74; 771.09] Show Hide
Cp,gas 433.19 J/mol×K 597.74 Joback Calculated Property
Cp,gas 444.56 J/mol×K 626.63 Joback Calculated Property
Cp,gas 455.45 J/mol×K 655.52 Joback Calculated Property
Cp,gas 465.86 J/mol×K 684.41 Joback Calculated Property
Cp,gas 475.78 J/mol×K 713.31 Joback Calculated Property
Cp,gas 485.23 J/mol×K 742.20 Joback Calculated Property
Cp,gas 494.19 J/mol×K 771.09 Joback Calculated Property

Similar Compounds

Pentafluorobenzoic acid, butyl ester. Pentafluorobenzoic acid, 4-methoxy-2-methylbutyl ester. pentyl pentafluorobenzoate. Hexyl 2,3,4,5,6-pentafluorobenzoate. Heptyl 2,3,4,5,6-pentafluorobenzoate. Nonyl 2,3,4,5,6-pentafluorobenzoate. Dodecyl 2,3,4,5,6-pentafluorobenzoate. octyl pentafluorobenzoate. Decyl 2,3,4,5,6-pentafluorobenzoate. Undecyl 2,3,4,5,6-pentafluorobenzoate. 4-Methylpentan-2-yl 2,3,4,5,6-pentafluorobenzoate. Pentafluorobenzoic acid, 2-methylpentyl ester. 3,7-Dimethyloct-6-enyl 2,3,4,5,6-pentafluorobenzoate. 4-pentenyl pentaflurobenzoate. 10-Chlorodecyl 2,3,4,5,6-pentafluorobenzoate.

Find more compounds similar to Isopentyl 2,3,4,5,6-pentafluorobenzoate.

Sources

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