Chemical Properties of Ketogluconic acid methyl ester, tetrakis(trifluoroacetate) (isomer 2)

Ketogluconic acid methyl ester, tetrakis(trifluoroacetate) (isomer 2)

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InChI
InChI=1S/C15H8F12O11/c1-34-7(29)4(28)6(38-11(33)15(25,26)27)5(37-10(32)14(22,23)24)3(36-9(31)13(19,20)21)2-35-8(30)12(16,17)18/h3,5-6H,2H2,1H3
InChI Key
ODXLNIXRVBTRPN-UHFFFAOYSA-N
Formula
C15H8F12O11
SMILES
COC(=O)C(=O)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C(COC(=O)C(F)(F)F)OC(=O)C(F)(F)F
Molecular Weight1
592.20
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Physical Properties

Property Value Unit Source
Δf -3556.78 kJ/mol Joback Calculated Property
Δfgas -4093.67 kJ/mol Joback Calculated Property
Δfus 46.87 kJ/mol Joback Calculated Property
Δvap 85.36 kJ/mol Joback Calculated Property
log10WS -2.68 Crippen Calculated Property
logPoct/wat 1.256 Crippen Calculated Property
McVol 282.220 ml/mol McGowan Calculated Property
Pc 1270.97 kPa Joback Calculated Property
Inp [1215.30; 1215.30]   Show Hide
Inp 1215.30 NIST
Inp 1215.30 NIST
Tboil 954.92 K Joback Calculated Property
Tc 1176.49 K Joback Calculated Property
Tfus 641.30 K Joback Calculated Property
Vc 1.155 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [904.59; 925.43] J/mol×K [954.92; 1176.49] Show Hide
Cp,gas 904.59 J/mol×K 954.92 Joback Calculated Property
Cp,gas 910.91 J/mol×K 991.85 Joback Calculated Property
Cp,gas 916.02 J/mol×K 1028.78 Joback Calculated Property
Cp,gas 919.96 J/mol×K 1065.71 Joback Calculated Property
Cp,gas 922.81 J/mol×K 1102.64 Joback Calculated Property
Cp,gas 924.61 J/mol×K 1139.57 Joback Calculated Property
Cp,gas 925.43 J/mol×K 1176.49 Joback Calculated Property

Similar Compounds

Ketogluconic acid methyl ester, tetrakis(trifluoroacetate) (isomer 3). Ketogluconic acid methyl ester, tetrakis(trifluoroacetate) (isomer 1). D-Glucose, 2,3,4,5,6-pentaacetate. d-Gluconic acid, 2,3,4,6-tetra-O-methyl-, «delta»-lactone. Butyl glucuronide, PFP. Methyl glucuronide, PFP. Propyl glucuronide, PFP. (S)-2-Methylbutyl glucuronide, PFP. Isopentyl glucuronide, PFP. Isobutyl glucuronide, PFP. (S)-2-Methylbutyl glucuronide, methyl ester, triacetate. Isobutyl glucuronide, methyl ester, triacetate. (S)-2-Butyl glucuronide, PFP. (R)-2-Butyl glucuronide, PFP. Butyl glucuronide, methyl ester, triacetate.

Find more compounds similar to Ketogluconic acid methyl ester, tetrakis(trifluoroacetate) (isomer 2).

Sources

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