- InChI
- InChI=1S/C16H22O7/c1-11(2)8-22-14(17)9-21-10-15(18)23-16-12(19-3)6-5-7-13(16)20-4/h5-7,11H,8-10H2,1-4H3
- InChI Key
- QFOSOBYGBXTBHA-UHFFFAOYSA-N
- Formula
- C16H22O7
- SMILES
-
COc1cccc(OC)c1OC(=O)COCC(=O)OC
C(C)C - Molecular Weight1
- 326.34
- 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° | -608.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1051.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.96 | kJ/mol | Joback Calculated Property |
| log10WS | -2.24 | Crippen Calculated Property | |
| logPoct/wat | 1.825 | Crippen Calculated Property | |
| McVol | 245.030 | ml/mol | McGowan Calculated Property |
| Pc | 1730.34 | kPa | Joback Calculated Property |
| Inp | [2801.00; 2801.00] |
|
|
| Inp | 2801.00 | NIST | |
| Inp | 2801.00 | NIST | |
| Tboil | 821.52 | K | Joback Calculated Property |
| Tc | 1025.55 | K | Joback Calculated Property |
| Tfus | 517.55 | K | Joback Calculated Property |
| Vc | 0.919 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [731.51; 796.96] | J/mol×K | [821.52; 1025.55] |
|
| Cp,gas | 731.51 | J/mol×K | 821.52 | Joback Calculated Property |
| Cp,gas | 745.47 | J/mol×K | 855.52 | Joback Calculated Property |
| Cp,gas | 758.24 | J/mol×K | 889.53 | Joback Calculated Property |
| Cp,gas | 769.81 | J/mol×K | 923.53 | Joback Calculated Property |
| Cp,gas | 780.14 | J/mol×K | 957.54 | Joback Calculated Property |
| Cp,gas | 789.20 | J/mol×K | 991.54 | Joback Calculated Property |
| Cp,gas | 796.96 | J/mol×K | 1025.55 | Joback Calculated Property |
| η | [0.0000378; 0.0002979] | Pa×s | [517.55; 821.52] |
|
| η | 0.0002979 | Pa×s | 517.55 | Joback Calculated Property |
| η | 0.0001811 | Pa×s | 568.21 | Joback Calculated Property |
| η | 0.0001195 | Pa×s | 618.87 | Joback Calculated Property |
| η | 0.0000839 | Pa×s | 669.53 | Joback Calculated Property |
| η | 0.0000619 | Pa×s | 720.20 | Joback Calculated Property |
| η | 0.0000476 | Pa×s | 770.86 | Joback Calculated Property |
| η | 0.0000378 | Pa×s | 821.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 2,6-dimethoxyphenyl isobutyl ester.
Sources
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