- InChI
- InChI=1S/C12H13ClO5/c1-2-17-11(14)7-16-8-12(15)18-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3
- InChI Key
- IMGQYRVGMOBLRW-UHFFFAOYSA-N
- Formula
- C12H13ClO5
- SMILES
- CCOC(=O)COCC(=O)Oc1ccc(Cl)cc1
- Molecular Weight1
- 272.68
- 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° | -431.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -703.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.35 | kJ/mol | Joback Calculated Property |
| log10WS | -2.09 | Crippen Calculated Property | |
| logPoct/wat | 1.825 | Crippen Calculated Property | |
| McVol | 189.170 | ml/mol | McGowan Calculated Property |
| Pc | 2460.47 | kPa | Joback Calculated Property |
| Inp | [2376.00; 2376.00] |
|
|
| Inp | 2376.00 | NIST | |
| Inp | 2376.00 | NIST | |
| Tboil | 718.05 | K | Joback Calculated Property |
| Tc | 931.00 | K | Joback Calculated Property |
| Tfus | 460.41 | K | Joback Calculated Property |
| Vc | 0.715 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [486.30; 546.13] | J/mol×K | [718.05; 931.00] |
|
| Cp,gas | 486.30 | J/mol×K | 718.05 | Joback Calculated Property |
| Cp,gas | 498.43 | J/mol×K | 753.54 | Joback Calculated Property |
| Cp,gas | 509.71 | J/mol×K | 789.03 | Joback Calculated Property |
| Cp,gas | 520.13 | J/mol×K | 824.53 | Joback Calculated Property |
| Cp,gas | 529.68 | J/mol×K | 860.02 | Joback Calculated Property |
| Cp,gas | 538.35 | J/mol×K | 895.51 | Joback Calculated Property |
| Cp,gas | 546.13 | J/mol×K | 931.00 | Joback Calculated Property |
| η | [0.0001062; 0.0007181] | Pa×s | [460.41; 718.05] |
|
| η | 0.0007181 | Pa×s | 460.41 | Joback Calculated Property |
| η | 0.0004558 | Pa×s | 503.35 | Joback Calculated Property |
| η | 0.0003108 | Pa×s | 546.29 | Joback Calculated Property |
| η | 0.0002241 | Pa×s | 589.23 | Joback Calculated Property |
| η | 0.0001689 | Pa×s | 632.17 | Joback Calculated Property |
| η | 0.0001320 | Pa×s | 675.11 | Joback Calculated Property |
| η | 0.0001062 | Pa×s | 718.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 4-chlorophenyl ethyl ester.
Sources
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