- InChI
- InChI=1S/C21H22O7/c1-13(22)27-18-12-9-16(8-5-15-6-10-17(25-3)11-7-15)19(21(24)26-4)20(18)28-14(2)23/h6-7,9-12H,5,8H2,1-4H3
- InChI Key
- JRJJBYUGAJBEKT-UHFFFAOYSA-N
- Formula
- C21H22O7
- SMILES
-
COC(=O)c1c(CCc2ccc(OC)cc2)ccc(
OC(C)=O)c1OC(C)=O - Molecular Weight1
- 386.40
- 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° | -494.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -916.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.42 | kJ/mol | Joback Calculated Property |
| log10WS | -4.88 | Crippen Calculated Property | |
| logPoct/wat | 3.118 | Crippen Calculated Property | |
| McVol | 287.420 | ml/mol | McGowan Calculated Property |
| Pc | 1586.01 | kPa | Joback Calculated Property |
| Inp | [2622.00; 2622.00] |
|
|
| Inp | 2622.00 | NIST | |
| Inp | 2622.00 | NIST | |
| Tboil | 1004.45 | K | Joback Calculated Property |
| Tc | 1237.61 | K | Joback Calculated Property |
| Tfus | 668.06 | K | Joback Calculated Property |
| Vc | 1.085 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [895.78; 925.67] | J/mol×K | [1004.45; 1237.61] |
|
| Cp,gas | 895.78 | J/mol×K | 1004.45 | Joback Calculated Property |
| Cp,gas | 905.27 | J/mol×K | 1043.31 | Joback Calculated Property |
| Cp,gas | 912.99 | J/mol×K | 1082.17 | Joback Calculated Property |
| Cp,gas | 918.90 | J/mol×K | 1121.03 | Joback Calculated Property |
| Cp,gas | 923.00 | J/mol×K | 1159.89 | Joback Calculated Property |
| Cp,gas | 925.26 | J/mol×K | 1198.75 | Joback Calculated Property |
| Cp,gas | 925.67 | J/mol×K | 1237.61 | Joback Calculated Property |
| η | [0.0000278; 0.0001509] | Pa×s | [668.06; 1004.45] |
|
| η | 0.0001509 | Pa×s | 668.06 | Joback Calculated Property |
| η | 0.0001020 | Pa×s | 724.12 | Joback Calculated Property |
| η | 0.0000730 | Pa×s | 780.19 | Joback Calculated Property |
| η | 0.0000546 | Pa×s | 836.26 | Joback Calculated Property |
| η | 0.0000424 | Pa×s | 892.32 | Joback Calculated Property |
| η | 0.0000339 | Pa×s | 948.38 | Joback Calculated Property |
| η | 0.0000278 | Pa×s | 1004.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-CO2Me-3,4-(OH)2-4'-OMe-bibenzyl, acetylated.
Sources
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