- InChI
- InChI=1S/C19H22O6/c1-21-12-8-16(23-3)13-10-14(20)19(25-17(13)9-12)11-5-6-15(22-2)18(7-11)24-4/h5-9,14,19-20H,10H2,1-4H3/t14-,19+/m1/s1
- InChI Key
- GKPNPQODFXMCGO-KUHUBIRLSA-N
- Formula
- C19H22O6
- SMILES
-
COc1cc(OC)c2c(c1)OC(c1ccc(OC)c
(OC)c1)C(O)C2 - Molecular Weight1
- 346.37
- CAS
- 51079-25-5
- Other Names
-
- Catechin, tetramethyl
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical 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° | -316.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -786.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.35 | kJ/mol | Joback Calculated Property |
| log10WS | -4.22 | Crippen Calculated Property | |
| logPoct/wat | 2.758 | Crippen Calculated Property | |
| McVol | 255.410 | ml/mol | McGowan Calculated Property |
| Pc | 1861.11 | kPa | Joback Calculated Property |
| Inp | [2959.00; 2959.00] |
|
|
| Inp | 2959.00 | NIST | |
| Inp | 2959.00 | NIST | |
| Tboil | 927.53 | K | Joback Calculated Property |
| Tc | 1149.49 | K | Joback Calculated Property |
| Tfus | 605.82 | K | Joback Calculated Property |
| Vc | 0.944 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [824.28; 878.11] | J/mol×K | [927.53; 1149.49] |
|
| Cp,gas | 824.28 | J/mol×K | 927.53 | Joback Calculated Property |
| Cp,gas | 836.91 | J/mol×K | 964.52 | Joback Calculated Property |
| Cp,gas | 848.10 | J/mol×K | 1001.52 | Joback Calculated Property |
| Cp,gas | 857.82 | J/mol×K | 1038.51 | Joback Calculated Property |
| Cp,gas | 866.07 | J/mol×K | 1075.50 | Joback Calculated Property |
| Cp,gas | 872.84 | J/mol×K | 1112.50 | Joback Calculated Property |
| Cp,gas | 878.11 | J/mol×K | 1149.49 | Joback Calculated Property |
| η | [0.0000149; 0.0001307] | Pa×s | [605.82; 927.53] |
|
| η | 0.0001307 | Pa×s | 605.82 | Joback Calculated Property |
| η | 0.0000785 | Pa×s | 659.44 | Joback Calculated Property |
| η | 0.0000509 | Pa×s | 713.06 | Joback Calculated Property |
| η | 0.0000351 | Pa×s | 766.68 | Joback Calculated Property |
| η | 0.0000254 | Pa×s | 820.29 | Joback Calculated Property |
| η | 0.0000191 | Pa×s | 873.91 | Joback Calculated Property |
| η | 0.0000149 | Pa×s | 927.53 | Joback Calculated Property |
Similar Compounds
Sources
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