Chemical Properties of (R)-2-Butyl glucuronide, PFP

(R)-2-Butyl glucuronide, PFP

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InChI
InChI=1S/C19H15F15O10/c1-3-4(2)40-10-8(44-13(39)16(24,25)19(32,33)34)6(43-12(38)15(22,23)18(29,30)31)5(7(41-10)9(35)36)42-11(37)14(20,21)17(26,27)28/h4-8,10H,3H2,1-2H3,(H,35,36)/t4-,5?,6?,7?,8?,10?/m0/s1
InChI Key
OGBPEWFEGQJNEI-XDPSOMMASA-N
Formula
C19H15F15O10
SMILES
CCC(C)OC1OC(C(=O)O)C(OC(=O)C(F)(F)C(F)(F)F)C(OC(=O)C(F)(F)C(F)(F)F)C1OC(=O)C(F)(F)C(F)(F)F
Molecular Weight1
688.29
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Physical Properties

Property Value Unit Source
Δf -3963.46 kJ/mol Joback Calculated Property
Δfgas -4725.39 kJ/mol Joback Calculated Property
Δfus 62.49 kJ/mol Joback Calculated Property
Δvap 94.48 kJ/mol Joback Calculated Property
log10WS -5.63 Crippen Calculated Property
logPoct/wat 3.939 Crippen Calculated Property
McVol 335.760 ml/mol McGowan Calculated Property
Pc 943.84 kPa Joback Calculated Property
Inp [1510.00; 1510.00]   Show Hide
Inp 1510.00 NIST
Inp 1510.00 NIST
Tboil 1028.51 K Joback Calculated Property
Tc 1295.74 K Joback Calculated Property
Tfus 678.71 K Joback Calculated Property
Vc 1.363 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1201.71; 1232.77] J/mol×K [1028.51; 1295.74] Show Hide
Cp,gas 1201.71 J/mol×K 1028.51 Joback Calculated Property
Cp,gas 1210.67 J/mol×K 1073.05 Joback Calculated Property
Cp,gas 1217.86 J/mol×K 1117.59 Joback Calculated Property
Cp,gas 1223.47 J/mol×K 1162.12 Joback Calculated Property
Cp,gas 1227.69 J/mol×K 1206.66 Joback Calculated Property
Cp,gas 1230.72 J/mol×K 1251.20 Joback Calculated Property
Cp,gas 1232.77 J/mol×K 1295.74 Joback Calculated Property

Similar Compounds

(S)-2-Butyl glucuronide, PFP. Isopropyl glucuronide, PFP. Propyl glucuronide, PFP. Ethyl glucuronide, PFP. Butyl glucuronide, PFP. (R)-2-Butyl glucuronide, acetate. (S)-2-Butyl glucuronide, acetate. Isobutyl glucuronide, PFP. Isopentyl glucuronide, PFP. (S)-2-Methylbutyl glucuronide, PFP. Propyl glucuronide, acetate. Isopropyl glucuronide, acetate. Butyl glucuronide, acetate. Isobutyl glucuronide, acetate. Ethyl glucuronide, acetate.

Find more compounds similar to (R)-2-Butyl glucuronide, PFP.

Sources

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