- InChI
- InChI=1S/C12H11Cl3O5/c1-2-19-10(16)5-18-6-11(17)20-12-8(14)3-7(13)4-9(12)15/h3-4H,2,5-6H2,1H3
- InChI Key
- DGUZMZSNHKSTRQ-UHFFFAOYSA-N
- Formula
- C12H11Cl3O5
- SMILES
-
CCOC(=O)COCC(=O)Oc1c(Cl)cc(Cl)
cc1Cl - Molecular Weight1
- 341.57
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7911 | Relay (1.0) Calculated Property | |
| ΔfG° | -474.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -839.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.132 | Crippen Calculated Property | |
| McVol | 213.650 | ml/mol | McGowan Calculated Property |
| Pc | 2224.99 | kPa | Joback Calculated Property |
| Inp | [2618.00; 2618.00] |
|
|
| Inp | 2618.00 | NIST | |
| Inp | 2618.00 | NIST | |
| Tboil | 596.38 | K | Relay (1.0) Calculated Property |
| Tc | 839.90 | K | Relay (1.0) Calculated Property |
| Tfus | 331.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.772 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [527.30; 572.28] | J/mol×K | [802.87; 1023.63] |
|
| Cp,gas | 527.30 | J/mol×K | 802.87 | Joback Calculated Property |
| Cp,gas | 537.13 | J/mol×K | 839.66 | Joback Calculated Property |
| Cp,gas | 546.06 | J/mol×K | 876.46 | Joback Calculated Property |
| Cp,gas | 554.06 | J/mol×K | 913.25 | Joback Calculated Property |
| Cp,gas | 561.11 | J/mol×K | 950.05 | Joback Calculated Property |
| Cp,gas | 567.19 | J/mol×K | 986.84 | Joback Calculated Property |
| Cp,gas | 572.28 | J/mol×K | 1023.63 | Joback Calculated Property |
| η | [0.0000838; 0.0004087] | Pa×s | [545.29; 802.87] |
|
| η | 0.0004087 | Pa×s | 545.29 | Joback Calculated Property |
| η | 0.0002850 | Pa×s | 588.22 | Joback Calculated Property |
| η | 0.0002088 | Pa×s | 631.15 | Joback Calculated Property |
| η | 0.0001591 | Pa×s | 674.08 | Joback Calculated Property |
| η | 0.0001253 | Pa×s | 717.01 | Joback Calculated Property |
| η | 0.0001013 | Pa×s | 759.94 | Joback Calculated Property |
| η | 0.0000838 | Pa×s | 802.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, ethyl 2,4,6-trichlorophenyl ester.
Sources
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