Chemical Properties of (R)-2-Butyl glucuronide, methyl ester, triacetate

(R)-2-Butyl glucuronide, methyl ester, triacetate

InChI
InChI=1S/C17H26O10/c1-7-8(2)23-17-15(26-11(5)20)13(25-10(4)19)12(24-9(3)18)14(27-17)16(21)22-6/h8,12-15,17H,7H2,1-6H3/t8-,12?,13?,14?,15?,17?/m1/s1
InChI Key
USMXXCSZCGJCAC-SNBXIZFTSA-N
Formula
C17H26O10
SMILES
CCC(C)OC1OC(C(=O)OC)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
Molecular Weight1
390.38
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δfus 52.70 kJ/mol Joback Calculated Property
logPoct/wat 0.494 Crippen Calculated Property
McVol 281.030 ml/mol McGowan Calculated Property
Inp [1987.00; 1987.00]   Show Hide
Inp 1987.00 NIST
Inp 1987.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [958.52; 999.05] J/mol×K [943.32; 1159.31] Show Hide
Cp,gas 958.52 J/mol×K 943.32 Joback Calculated Property
Cp,gas 970.67 J/mol×K 979.32 Joback Calculated Property
Cp,gas 980.75 J/mol×K 1015.32 Joback Calculated Property
Cp,gas 988.69 J/mol×K 1051.31 Joback Calculated Property
Cp,gas 994.43 J/mol×K 1087.31 Joback Calculated Property
Cp,gas 997.91 J/mol×K 1123.31 Joback Calculated Property
Cp,gas 999.05 J/mol×K 1159.31 Joback Calculated Property
η [0.0000741; 0.0004525] Pa×s [594.21; 943.32] Show Hide
η 0.0004525 Pa×s 594.21 Joback Calculated Property
η 0.0002926 Pa×s 652.39 Joback Calculated Property
η 0.0002032 Pa×s 710.58 Joback Calculated Property
η 0.0001491 Pa×s 768.77 Joback Calculated Property
η 0.0001143 Pa×s 826.95 Joback Calculated Property
η 0.0000908 Pa×s 885.13 Joback Calculated Property
η 0.0000741 Pa×s 943.32 Joback Calculated Property

Similar Compounds

(S)-2-Butyl glucuronide, methyl ester, triacetate. Propyl glucuronide, methyl ester, triacetate. Isopropyl glucuronide, methyl ester, triacetate. Butyl glucuronide, methyl ester, triacetate. Ethyl glucuronide, methyl ester, triacetate. Isobutyl glucuronide, methyl ester, triacetate. Methyl(methyl 2,3,4-tri-O-acetyl-beta-d-glucopyranosid)uronate. Isopentyl glucuronide, methyl ester, triacetate. (S)-2-Methylbutyl glucuronide, methyl ester, triacetate. (R)-2-Butyl glucuronide, acetate. (S)-2-Butyl glucuronide, acetate. Propyl glucuronide, acetate. (S)-2-Butyl glucuronide, PFP. (R)-2-Butyl glucuronide, PFP. Methyl glucuronide, PFP.

Find more compounds similar to (R)-2-Butyl glucuronide, methyl ester, triacetate.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.