Chemical Properties of Tannic acid

Tannic acid

InChI
InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m0/s1
InChI Key
LRBQNJMCXXYXIU-PPKXGCFTSA-N
Formula
C76H52O46
SMILES
O=C(OC[C@@H]1O[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1
Molecular Weight1
1701.21
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Physical Properties

Property Value Unit Source
ΔfusH° 307.60 kJ/mol Joback Calculated Property
logPoct/wat 4.838 Crippen Calculated Property
McVol 1060.260 ml/mol McGowan Calculated Property

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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [2970.66; 276145.14] J/mol×K [728.24; 5036.20] Show Hide
Cp,gas 2970.66 J/mol×K 728.24 Joback Calculated Property
Cp,gas 13586.18 J/mol×K 2164.23 Joback Calculated Property
Cp,gas 83319.20 J/mol×K 3600.21 Joback Calculated Property
Cp,gas 276145.14 J/mol×K 5036.20 Joback Calculated Property
η [0.0000000; 0.0000000] Pa×s [4804.67; 5036.20] Show Hide
η 0.0000000 Pa×s 4804.67 Joback Calculated Property
η 0.0000000 Pa×s 4843.26 Joback Calculated Property
η 0.0000000 Pa×s 4881.85 Joback Calculated Property
η 0.0000000 Pa×s 4920.43 Joback Calculated Property
η 0.0000000 Pa×s 4959.02 Joback Calculated Property
η 0.0000000 Pa×s 4997.61 Joback Calculated Property
η 0.0000000 Pa×s 5036.20 Joback Calculated Property

Similar Compounds

cis-1,2-Tetralinediol, ferrocenylboronate. Noscapine. Hydrastine. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. Tetrabenazine M (desmethyl-HO-), monoacetylated. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Butorphanol di-TMS derivative. 2-Amino-2-phenylethanol, ferrocenylboronate. AJMALINE, M(NOR-), AC. AJMALINE, M(DIHYDRO-), AC. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. Methyldesorphine. Hydromorphone, tert-butyldimethylsilyl ether. TCN. Galantamin.

Find more compounds similar to Tannic acid.

Sources

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