- InChI
- InChI=1S/C14H15ClO6/c1-3-20-13(17)7-19-8-14(18)21-12-5-4-10(15)6-11(12)9(2)16/h4-6H,3,7-8H2,1-2H3
- InChI Key
- NKDMVZZPZMZBKP-UHFFFAOYSA-N
- Formula
- C14H15ClO6
- SMILES
-
CCOC(=O)COCC(=O)Oc1ccc(Cl)cc1C
(C)=O - Molecular Weight1
- 314.72
- 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° | -553.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -868.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.21 | kJ/mol | Joback Calculated Property |
| log10WS | -2.75 | Crippen Calculated Property | |
| logPoct/wat | 2.028 | Crippen Calculated Property | |
| McVol | 218.920 | ml/mol | McGowan Calculated Property |
| Pc | 2143.35 | kPa | Joback Calculated Property |
| Inp | [2644.00; 2644.00] |
|
|
| Inp | 2644.00 | NIST | |
| Inp | 2644.00 | NIST | |
| Tboil | 822.66 | K | Joback Calculated Property |
| Tc | 1037.77 | K | Joback Calculated Property |
| Tfus | 545.40 | K | Joback Calculated Property |
| Vc | 0.833 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [602.53; 654.11] | J/mol×K | [822.66; 1037.77] |
|
| Cp,gas | 602.53 | J/mol×K | 822.66 | Joback Calculated Property |
| Cp,gas | 613.74 | J/mol×K | 858.51 | Joback Calculated Property |
| Cp,gas | 623.92 | J/mol×K | 894.36 | Joback Calculated Property |
| Cp,gas | 633.06 | J/mol×K | 930.21 | Joback Calculated Property |
| Cp,gas | 641.15 | J/mol×K | 966.07 | Joback Calculated Property |
| Cp,gas | 648.17 | J/mol×K | 1001.92 | Joback Calculated Property |
| Cp,gas | 654.11 | J/mol×K | 1037.77 | Joback Calculated Property |
| η | [0.0000803; 0.0004629] | Pa×s | [545.40; 822.66] |
|
| η | 0.0004629 | Pa×s | 545.40 | Joback Calculated Property |
| η | 0.0003084 | Pa×s | 591.61 | Joback Calculated Property |
| η | 0.0002179 | Pa×s | 637.82 | Joback Calculated Property |
| η | 0.0001614 | Pa×s | 684.03 | Joback Calculated Property |
| η | 0.0001242 | Pa×s | 730.24 | Joback Calculated Property |
| η | 0.0000985 | Pa×s | 776.45 | Joback Calculated Property |
| η | 0.0000803 | Pa×s | 822.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 4-chloro-2-acetylphenyl ethyl ester.
Sources
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