- InChI
- InChI=1S/C21H30O9/c1-13(2)10-25-19(22)28-16-8-7-9-17(29-20(23)26-11-14(3)4)18(16)30-21(24)27-12-15(5)6/h7-9,13-15H,10-12H2,1-6H3
- InChI Key
- IXJIOOQBENUBJB-UHFFFAOYSA-N
- Formula
- C21H30O9
- SMILES
-
CC(C)COC(=O)Oc1cccc(OC(=O)OCC(
C)C)c1OC(=O)OCC(C)C - Molecular Weight1
- 426.46
- 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° | -804.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1410.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.47 | kJ/mol | Joback Calculated Property |
| log10WS | -5.65 | Crippen Calculated Property | |
| logPoct/wat | 5.201 | Crippen Calculated Property | |
| McVol | 322.920 | ml/mol | McGowan Calculated Property |
| Pc | 1255.70 | kPa | Joback Calculated Property |
| Inp | 2486.00 | NIST | |
| Tboil | 1011.33 | K | Joback Calculated Property |
| Tc | 1238.29 | K | Joback Calculated Property |
| Tfus | 616.06 | K | Joback Calculated Property |
| Vc | 1.212 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1061.33; 1091.38] | J/mol×K | [1011.33; 1238.29] | 
|
| Cp,gas | 1061.33 | J/mol×K | 1011.33 | Joback Calculated Property |
| Cp,gas | 1071.75 | J/mol×K | 1049.16 | Joback Calculated Property |
| Cp,gas | 1080.01 | J/mol×K | 1086.98 | Joback Calculated Property |
| Cp,gas | 1086.06 | J/mol×K | 1124.81 | Joback Calculated Property |
| Cp,gas | 1089.87 | J/mol×K | 1162.64 | Joback Calculated Property |
| Cp,gas | 1091.38 | J/mol×K | 1200.47 | Joback Calculated Property |
| Cp,gas | 1090.54 | J/mol×K | 1238.29 | Joback Calculated Property |
| η | [0.0000104; 0.0001163] | Pa×s | [616.06; 1011.33] |
|
| η | 0.0001163 | Pa×s | 616.06 | Joback Calculated Property |
| η | 0.0000641 | Pa×s | 681.94 | Joback Calculated Property |
| η | 0.0000392 | Pa×s | 747.82 | Joback Calculated Property |
| η | 0.0000260 | Pa×s | 813.69 | Joback Calculated Property |
| η | 0.0000183 | Pa×s | 879.57 | Joback Calculated Property |
| η | 0.0000135 | Pa×s | 945.45 | Joback Calculated Property |
| η | 0.0000104 | Pa×s | 1011.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pyrogallol, isoBOC.
Sources
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