Chemical Properties of 3-Methylbutan-2-yl 2,3,4,5,6-pentafluorobenzoate (CAS 99483-14-4)

3-Methylbutan-2-yl 2,3,4,5,6-pentafluorobenzoate

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InChI
InChI=1S/C12H11F5O2/c1-4(2)5(3)19-12(18)6-7(13)9(15)11(17)10(16)8(6)14/h4-5H,1-3H3
InChI Key
WYIQGISADCVNPE-UHFFFAOYSA-N
Formula
C12H11F5O2
SMILES
CC(C)C(C)OC(=O)c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
282.21
CAS
99483-14-4
Other Names
  • 1,2-dimethylpropyl pentafluorobenzoate
  • Pentafluorobenzoic acid, 3-methylbut-2-yl ester
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Physical Properties

Property Value Unit Source
Δf -1098.43 kJ/mol Joback Calculated Property
Δfgas -1347.74 kJ/mol Joback Calculated Property
Δfus 30.07 kJ/mol Joback Calculated Property
Δvap 52.19 kJ/mol Joback Calculated Property
log10WS -4.92 Crippen Calculated Property
logPoct/wat 3.583 Crippen Calculated Property
McVol 172.470 ml/mol McGowan Calculated Property
Pc 1928.74 kPa Joback Calculated Property
Inp [1237.00; 1264.00]   Show Hide
Inp 1241.00 NIST
Inp 1246.00 NIST
Inp 1237.00 NIST
Inp 1264.00 NIST
Inp 1256.00 NIST
Inp 1243.00 NIST
I [1475.00; 1502.00]   Show Hide
I 1490.00 NIST
I 1485.00 NIST
I 1475.00 NIST
I 1502.00 NIST
I 1490.00 NIST
Tboil 597.30 K Joback Calculated Property
Tc 773.55 K Joback Calculated Property
Tfus 359.13 K Joback Calculated Property
Vc 0.702 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [433.62; 495.68] J/mol×K [597.30; 773.55] Show Hide
Cp,gas 433.62 J/mol×K 597.30 Joback Calculated Property
Cp,gas 445.22 J/mol×K 626.67 Joback Calculated Property
Cp,gas 456.33 J/mol×K 656.05 Joback Calculated Property
Cp,gas 466.92 J/mol×K 685.42 Joback Calculated Property
Cp,gas 477.02 J/mol×K 714.80 Joback Calculated Property
Cp,gas 486.60 J/mol×K 744.17 Joback Calculated Property
Cp,gas 495.68 J/mol×K 773.55 Joback Calculated Property

Similar Compounds

2,4-Dimethylpentan-3-yl 2,3,4,5,6-pentafluorobenzoate. Pentafluorobenzoic acid, 2-butyl ester. 4-Methylpentan-2-yl 2,3,4,5,6-pentafluorobenzoate. Pentafluorobenzoic acid, 2-pentyl ester. Octan-2-yl 2,3,4,5,6-pentafluorobenzoate. Decan-2-yl 2,3,4,5,6-pentafluorobenzoate. Pentafluorobenzoic acid, 2-methylpropyl ester. Pentafluorobenzoic acid, 4-methoxy-2-methylbutyl ester. Pentafluorobenzoic acid, 2-methylpentyl ester. Isopentyl 2,3,4,5,6-pentafluorobenzoate. 2,4-Difluorobenzoic acid, 3-methylbutyl-2 ester. 3-Methylpentan-3-yl 2,3,4,5,6-pentafluorobenzoate. 3-Methoxy-2,4,5-trifluorobenzoic acid, 3-methylbutyl-2 ester. Pentafluorobenzoic acid, hex-4-yn-3-yl ester. 1-methyl-3-butenyl pentaflurobenzoate.

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

Sources

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