- InChI
- InChI=1S/C16H20O6/c1-11(2)8-21-15(18)9-20-10-16(19)22-14-7-5-4-6-13(14)12(3)17/h4-7,11H,8-10H2,1-3H3
- InChI Key
- QAUGPIHZWRDTDY-UHFFFAOYSA-N
- Formula
- C16H20O6
- SMILES
-
CC(=O)c1ccccc1OC(=O)COCC(=O)OC
C(C)C - Molecular Weight1
- 308.33
- 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° | -517.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -888.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.23 | kJ/mol | Joback Calculated Property |
| log10WS | -2.67 | Crippen Calculated Property | |
| logPoct/wat | 2.010 | Crippen Calculated Property | |
| McVol | 234.860 | ml/mol | McGowan Calculated Property |
| Pc | 1903.58 | kPa | Joback Calculated Property |
| Inp | [2538.00; 2538.00] |
|
|
| Inp | 2538.00 | NIST | |
| Inp | 2538.00 | NIST | |
| Tboil | 825.57 | K | Joback Calculated Property |
| Tc | 1036.05 | K | Joback Calculated Property |
| Tfus | 510.50 | K | Joback Calculated Property |
| Vc | 0.889 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [691.98; 754.05] | J/mol×K | [825.57; 1036.05] |
|
| Cp,gas | 691.98 | J/mol×K | 825.57 | Joback Calculated Property |
| Cp,gas | 705.14 | J/mol×K | 860.65 | Joback Calculated Property |
| Cp,gas | 717.18 | J/mol×K | 895.73 | Joback Calculated Property |
| Cp,gas | 728.10 | J/mol×K | 930.81 | Joback Calculated Property |
| Cp,gas | 737.88 | J/mol×K | 965.89 | Joback Calculated Property |
| Cp,gas | 746.54 | J/mol×K | 1000.97 | Joback Calculated Property |
| Cp,gas | 754.05 | J/mol×K | 1036.05 | Joback Calculated Property |
| η | [0.0000634; 0.0005715] | Pa×s | [510.50; 825.57] |
|
| η | 0.0005715 | Pa×s | 510.50 | Joback Calculated Property |
| η | 0.0003339 | Pa×s | 563.01 | Joback Calculated Property |
| η | 0.0002138 | Pa×s | 615.52 | Joback Calculated Property |
| η | 0.0001468 | Pa×s | 668.03 | Joback Calculated Property |
| η | 0.0001065 | Pa×s | 720.55 | Joback Calculated Property |
| η | 0.0000807 | Pa×s | 773.06 | Joback Calculated Property |
| η | 0.0000634 | Pa×s | 825.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 2-acetylphenyl isobutyl ester.
Sources
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