Chemical Properties of Phenylethyl (E)-caffeate, bis-TMS

Phenylethyl (E)-caffeate, bis-TMS

InChI
InChI=1S/C23H32O4Si2/c1-28(2,3)26-21-14-12-20(18-22(21)27-29(4,5)6)13-15-23(24)25-17-16-19-10-8-7-9-11-19/h7-15,18H,16-17H2,1-6H3/b15-13+
InChI Key
YIRGTBZPWJGXDB-FYWRMAATSA-N
Formula
C23H32O4Si2
SMILES
C[Si](C)(C)Oc1ccc(C=CC(=O)OCCc2ccccc2)cc1O[Si](C)(C)C
Molecular Weight1
428.67
Other Names
  • 2-Phenylethyl (E)-caffeate, TMS
  • 2-Phenylethyl caffeate, TMS
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Physical Properties

Property Value Unit Source
ΔvapH° 105.52 kJ/mol Relay (1.0) Calculated Property
log10WS -5.33 Relay (1.0) Calculated Property
logPoct/wat 5.913 Crippen Calculated Property
Inp [2766.00; 2801.00]   Show Hide
Inp 2801.00 NIST
Inp 2801.00 NIST
Inp 2780.00 NIST
Inp 2766.00 NIST
Tboil 681.38 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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

2-Phenylethyl (Z)-isoferulate, TMS. 2-Phenylethyl (E)-isoferulate, TMS. Phenylethyl (E)-ferulate (iso), bis-TMS. 2-Phenylethyl (E)-4-acetylcaffeate, TMS. Phenylethyl (E)-p-coumarate, mono-TMS. 2-Phenylethyl (E)-3-acetylcaffeate, TMS. Hydrocinnamyl (E)-isoferulate, TMS. Caffeic acid, ethyl ester, 2TMS. 3-Methyl-3-butenyl (E)-caffeate, bis-TMS. 3-Methyl-3-butenyl caffeate, TMS. 2-Nethyl-3-butenyl (Z)-isoferulate, TMS. 3-Methyl-3-butenyl (E)-4-acetylcaffeate, TMS. 3-Methyl-2-butenyl (E)-4-acetylcaffeate, TMS. 3-Methyl-3-butenyl (Z)-isoferulate, TMS. 3-Methyl-3-butenyl (E)-isoferulate, TMS.

Find more compounds similar to Phenylethyl (E)-caffeate, bis-TMS.

Sources

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