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° 323.42 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [1631.78; 3412.61] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-3.27189e+02
Coefficient B9.46740e+00
Coefficient C-9.39590e-03
Coefficient D3.66830e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 1631.78 J/mol×K 273.00 Calculated Property
Cp,gas 2008.61 J/mol×K 353.78 Calculated Property
Cp,gas 2313.64 J/mol×K 434.56 Calculated Property
Cp,gas 2558.45 J/mol×K 515.33 Calculated Property
Cp,gas 2754.66 J/mol×K 596.11 Calculated Property
Cp,gas 2913.86 J/mol×K 676.89 Calculated Property
Cp,gas 3047.66 J/mol×K 757.67 Calculated Property
Cp,gas 3167.64 J/mol×K 838.44 Calculated Property
Cp,gas 3285.43 J/mol×K 919.22 Calculated Property
Cp,gas 3412.61 J/mol×K 1000.00 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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