Chemical Properties of 3-butenyl glucosinolate, TMS

InChI

InChI=1S/C26H59NO9S2Si5/c1-17-18-19-22(27-35-38(28,29)36-43(14,15)16)37-26-25(34-42(11,12)13)24(33-41(8,9)10)23(32-40(5,6)7)21(31-26)20-30-39(2,3)4/h17,21,23-26H,1,18-20H2,2-16H3/b27-22-

InChI Key

SOAXBYFVOFWXQV-QYQHSDTDSA-N

Formula

C26H59NO9S2Si5

SMILES

C=CCC/C(=N/OS(=O)(=O)O[Si](C)(C)C)SC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C

Molecular Weight¹

734.32

• logP_oct/wat : Octanol/Water partition coefficient.
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	7.349		Crippen Calculated Property
Inp	[2410.00; 2410.00]
Inp	2410.00		NIST
Inp	2410.00		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.

Similar Compounds

Find more compounds similar to 3-butenyl glucosinolate, TMS.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• NIST Webbook

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.
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