Chemical Properties of Isobutyl glucuronide, acetate

Isobutyl glucuronide, acetate

InChI
InChI=1S/C16H24O10/c1-7(2)6-22-16-14(25-10(5)19)12(24-9(4)18)11(23-8(3)17)13(26-16)15(20)21/h7,11-14,16H,6H2,1-5H3,(H,20,21)
InChI Key
WFXMDGGIWAVIIY-UHFFFAOYSA-N
Formula
C16H24O10
SMILES
CC(=O)OC1C(OCC(C)C)OC(C(=O)O)C(OC(C)=O)C1OC(C)=O
Molecular Weight1
376.36
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Physical Properties

Property Value Unit Source
ΔfusH° 62.21 kJ/mol Joback Calculated Property
logPoct/wat 0.264 Crippen Calculated Property
McVol 266.940 ml/mol McGowan Calculated Property
Inp [1900.00; 1900.00]   Show Hide
Inp 1900.00 NIST
Inp 1900.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [410.93; 930.16] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A6.84610e+01
Coefficient B1.36610e+00
Coefficient C-3.73100e-04
Coefficient D-1.31300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 410.93 J/mol×K 273.00 Calculated Property
Cp,gas 499.25 J/mol×K 353.78 Calculated Property
Cp,gas 580.88 J/mol×K 434.56 Calculated Property
Cp,gas 655.41 J/mol×K 515.33 Calculated Property
Cp,gas 722.41 J/mol×K 596.11 Calculated Property
Cp,gas 781.49 J/mol×K 676.89 Calculated Property
Cp,gas 832.22 J/mol×K 757.67 Calculated Property
Cp,gas 874.18 J/mol×K 838.44 Calculated Property
Cp,gas 906.97 J/mol×K 919.22 Calculated Property
Cp,gas 930.16 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0004058; 0.0000848] Pa×s [581.89; 806.11] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.34385e+01
Coefficient B3.27539e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.581.89
Temperature range, max.806.11
η 0.0004058 Pa×s 581.89 Calculated Property
η 0.0003221 Pa×s 606.80 Calculated Property
η 0.0002603 Pa×s 631.72 Calculated Property
η 0.0002138 Pa×s 656.63 Calculated Property
η 0.0001782 Pa×s 681.54 Calculated Property
η 0.0001504 Pa×s 706.46 Calculated Property
η 0.0001284 Pa×s 731.37 Calculated Property
η 0.0001108 Pa×s 756.28 Calculated Property
η 0.0000965 Pa×s 781.20 Calculated Property
η 0.0000848 Pa×s 806.11 Calculated Property

Similar Compounds

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

Find more compounds similar to Isobutyl glucuronide, acetate.

Sources

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