Chemical Properties of Vanillin, «beta»-D-glucopyranoside, TFA

Vanillin, «beta»-D-glucopyranoside, TFA

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InChI
InChI=1S/C22H14F12O12/c1-40-9-4-7(5-35)2-3-8(9)42-14-13(46-18(39)22(32,33)34)12(45-17(38)21(29,30)31)11(44-16(37)20(26,27)28)10(43-14)6-41-15(36)19(23,24)25/h2-5,10-14H,6H2,1H3/t10-,11-,12+,13-,14-/m0/s1
InChI Key
BVIJWNGBLGFVLR-HPCHECBXSA-N
Formula
C22H14F12O12
SMILES
COc1cc(C=O)ccc1OC1OC(COC(=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
698.32
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Physical Properties

Property Value Unit Source
Δf -3436.56 kJ/mol Joback Calculated Property
Δfgas -4160.40 kJ/mol Joback Calculated Property
Δfus 73.21 kJ/mol Joback Calculated Property
Δvap 105.05 kJ/mol Joback Calculated Property
log10WS -5.53 Crippen Calculated Property
logPoct/wat 3.139 Crippen Calculated Property
McVol 356.400 ml/mol McGowan Calculated Property
Pc 973.52 kPa Joback Calculated Property
Inp [2092.00; 2101.00]   Show Hide
Inp 2101.00 NIST
Inp 2092.00 NIST
Inp 2101.00 NIST
Tboil 1144.20 K Joback Calculated Property
Tc 1435.01 K Joback Calculated Property
Tfus 798.01 K Joback Calculated Property
Vc 1.431 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1181.24; 1228.93] J/mol×K [1144.20; 1435.01] Show Hide
Cp,gas 1228.93 J/mol×K 1144.20 Joback Calculated Property
Cp,gas 1228.81 J/mol×K 1192.67 Joback Calculated Property
Cp,gas 1225.47 J/mol×K 1241.14 Joback Calculated Property
Cp,gas 1218.97 J/mol×K 1289.61 Joback Calculated Property
Cp,gas 1209.39 J/mol×K 1338.07 Joback Calculated Property
Cp,gas 1196.79 J/mol×K 1386.54 Joback Calculated Property
Cp,gas 1181.24 J/mol×K 1435.01 Joback Calculated Property

Similar Compounds

Eugenol, «beta»-D-glucopyranoside, TFA. Methyl salicylate, Gly, TFA. Scopoletin «beta»-D-glucopyranoside, TFA. Methyl salicylate, Rut, TFA. Galactopyranoside, p-nitrophenyl, tetraacetate, beta-d-. N-Acetylnornarcotine. «beta»-D-Glucopyranoside, 4-(acetyloxy)phenyl, tetraacetate. Butorphanol di-TMS derivative. Hydrastine. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Noscapine. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-acetyl. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. cis-1,2-Tetralinediol, ferrocenylboronate.

Find more compounds similar to Vanillin, «beta»-D-glucopyranoside, TFA.

Sources

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