- 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+/m1/s1
- InChI Key
- LRBQNJMCXXYXIU-PPKXGCFTSA-N
- Formula
- C76H52O46
- SMILES
-
O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(
OC(=O)c3cc(O)c(O)c(O)c3)c2)C(O C(=O)c2cc(O)c(O)c(OC(=O)c3cc(O )c(O)c(O)c3)c2)C(OC(=O)c2cc(O) c(O)c(OC(=O)c3cc(O)c(O)c(O)c3) c2)C1OC(=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
- 1701.20
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -4632.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -6343.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 307.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 631.45 | kJ/mol | Joback Calculated Property |
| log10WS | -8.87 | Crippen Calculated Property | |
| logPoct/wat | 4.838 | Crippen Calculated Property | |
| McVol | 1060.260 | ml/mol | McGowan Calculated Property |
| Pc | 9425.96 | kPa | Joback Calculated Property |
| Tboil | 5036.20 | K | Joback Calculated Property |
| Tfus | 4804.67 | K | Joback Calculated Property |
| Vc | 2.551 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2970.66; 276145.14] | J/mol×K | [728.24; 5036.20] | 
|
| 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] |
|
| 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
Find more compounds similar to Tannic acid.
Sources
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