Chemical Properties of Benzyl alcohol, rutinoside, TFA

Benzyl alcohol, rutinoside, TFA

InChI
InChI=1S/C31H22F18O16/c1-9-12(60-20(50)26(32,33)34)14(62-22(52)28(38,39)40)16(64-24(54)30(44,45)46)18(58-9)57-8-11-13(61-21(51)27(35,36)37)15(63-23(53)29(41,42)43)17(65-25(55)31(47,48)49)19(59-11)56-7-10-5-3-2-4-6-10/h2-6,9,11-19H,7-8H2,1H3/t9-,11+,12-,13+,14+,15-,16+,17+,18+,19+/m1/s1
InChI Key
ZFZXGBPUOBMIRI-FARGQAFFSA-N
Formula
C31H22F18O16
SMILES
CC1OC(OCC2OC(OCc3ccccc3)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C2OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C1OC(=O)C(F)(F)F
Molecular Weight1
992.47
Other Names
  • Benzenemethanol, Rut, TFA
  • benzyl 6- O-(«alpha»-L-rhamonopyranosyl)-«beta»-D-glucopyranoside, TFA
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Physical Properties

Property Value Unit Source
ΔfusH° 117.83 kJ/mol Joback Calculated Property
logPoct/wat 4.534 Crippen Calculated Property
McVol 502.150 ml/mol McGowan Calculated Property
Inp [2095.00; 2118.00]   Show Hide
Inp 2095.00 NIST
Inp 2118.00 NIST
Inp 2112.00 NIST
Inp 2118.00 NIST
Inp 2112.00 NIST
Inp 2118.00 NIST
Inp 2118.00 NIST
Inp 2095.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1229.01; 1745.25] J/mol×K [1352.84; 1908.38] Show Hide
Cp,gas 1745.25 J/mol×K 1352.84 Joback Calculated Property
Cp,gas 1693.26 J/mol×K 1445.43 Joback Calculated Property
Cp,gas 1626.13 J/mol×K 1538.02 Joback Calculated Property
Cp,gas 1545.00 J/mol×K 1630.61 Joback Calculated Property
Cp,gas 1451.01 J/mol×K 1723.20 Joback Calculated Property
Cp,gas 1345.30 J/mol×K 1815.79 Joback Calculated Property
Cp,gas 1229.01 J/mol×K 1908.38 Joback Calculated Property

Similar Compounds

benzyl 6- O-(«alpha»-L-arabinofuranosyl)-«beta»-D-glucopyranoside, TFA. Benzenemethanol, Gly, TFA. Sambunigrin, TFA. Amigdalin, TFA. Prunasin, TFA. Benzyl «beta»-D-glucopyranoside, TFA. Mandelonitrile, rhamnoglucoside (isomer # 1), TFA. Mandelonitrile, rhamnoglucoside (isomer # 2), TFA. Benzoyl glucopyranoside, isomer # 3, TFA. Benzoyl glucopyranoside, isomer # 1, TFA. Benzoyl glucopyranoside, isomer # 2, TFA. 2-Phenylethanol, rutinoside, TFA. 2-Phenylethnol, «beta»-D-glucoside, TFA. «beta»-phenylethyl 6- O-(«beta»-D-apiofuranosyl)-«beta»-D-glucopyranoside, TFA. Vomifoliol 2A, Gly, TFA.

Find more compounds similar to Benzyl alcohol, rutinoside, TFA.

Sources

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