Chemical Properties of Benzyl alcohol, rutinoside, TFA

Benzyl alcohol, rutinoside, TFA

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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
Δf -4965.53 kJ/mol Joback Calculated Property
Δfgas -6080.44 kJ/mol Joback Calculated Property
Δfus 108.34 kJ/mol Joback Calculated Property
Δvap 131.56 kJ/mol Joback Calculated Property
log10WS -7.80 Crippen Calculated Property
logPoct/wat 4.534 Crippen Calculated Property
McVol 502.150 ml/mol McGowan Calculated Property
Pc 569.87 kPa Joback Calculated Property
Inp [2095.00; 2118.00]   Show Hide
Inp Outlier 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
Tboil 1461.06 K Joback Calculated Property
Tc 2145.88 K Joback Calculated Property
Tfus 1002.09 K Joback Calculated Property
Vc 2.002 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1036.48; 1732.00] J/mol×K [1461.06; 2145.88] Show Hide
Cp,gas 1732.00 J/mol×K 1461.06 Joback Calculated Property
Cp,gas 1660.35 J/mol×K 1575.20 Joback Calculated Property
Cp,gas 1568.62 J/mol×K 1689.33 Joback Calculated Property
Cp,gas 1458.59 J/mol×K 1803.47 Joback Calculated Property
Cp,gas 1332.04 J/mol×K 1917.61 Joback Calculated Property
Cp,gas 1190.74 J/mol×K 2031.75 Joback Calculated Property
Cp,gas 1036.48 J/mol×K 2145.88 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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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.