- InChI
- InChI=1S/C13H13Cl3O5/c1-2-3-20-11(17)6-19-7-12(18)21-13-9(15)4-8(14)5-10(13)16/h4-5H,2-3,6-7H2,1H3
- InChI Key
- IRYCTTVNVHSBRD-UHFFFAOYSA-N
- Formula
- C13H13Cl3O5
- SMILES
-
CCCOC(=O)COCC(=O)Oc1c(Cl)cc(Cl
)cc1Cl - Molecular Weight1
- 355.60
- 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° | -466.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -778.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.67 | kJ/mol | Joback Calculated Property |
| log10WS | -3.88 | Crippen Calculated Property | |
| logPoct/wat | 3.522 | Crippen Calculated Property | |
| McVol | 227.740 | ml/mol | McGowan Calculated Property |
| Pc | 2036.39 | kPa | Joback Calculated Property |
| Inp | [2742.00; 2742.00] |
|
|
| Inp | 2742.00 | NIST | |
| Inp | 2742.00 | NIST | |
| Tboil | 825.75 | K | Joback Calculated Property |
| Tc | 1044.21 | K | Joback Calculated Property |
| Tfus | 556.56 | K | Joback Calculated Property |
| Vc | 0.869 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [580.66; 627.21] | J/mol×K | [825.75; 1044.21] |
|
| Cp,gas | 580.66 | J/mol×K | 825.75 | Joback Calculated Property |
| Cp,gas | 590.88 | J/mol×K | 862.16 | Joback Calculated Property |
| Cp,gas | 600.14 | J/mol×K | 898.57 | Joback Calculated Property |
| Cp,gas | 608.42 | J/mol×K | 934.98 | Joback Calculated Property |
| Cp,gas | 615.70 | J/mol×K | 971.39 | Joback Calculated Property |
| Cp,gas | 621.97 | J/mol×K | 1007.80 | Joback Calculated Property |
| Cp,gas | 627.21 | J/mol×K | 1044.21 | Joback Calculated Property |
| η | [0.0000731; 0.0003737] | Pa×s | [556.56; 825.75] |
|
| η | 0.0003737 | Pa×s | 556.56 | Joback Calculated Property |
| η | 0.0002572 | Pa×s | 601.43 | Joback Calculated Property |
| η | 0.0001865 | Pa×s | 646.29 | Joback Calculated Property |
| η | 0.0001409 | Pa×s | 691.15 | Joback Calculated Property |
| η | 0.0001102 | Pa×s | 736.02 | Joback Calculated Property |
| η | 0.0000887 | Pa×s | 780.88 | Joback Calculated Property |
| η | 0.0000731 | Pa×s | 825.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, propyl 2,4,6-trichlorophenyl ester.
Sources
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