- InChI
- InChI=1S/C13H15ClO5/c1-2-6-18-12(15)8-17-9-13(16)19-11-5-3-4-10(14)7-11/h3-5,7H,2,6,8-9H2,1H3
- InChI Key
- RXSYAOKEBWMLIF-UHFFFAOYSA-N
- Formula
- C13H15ClO5
- SMILES
- CCCOC(=O)COCC(=O)Oc1cccc(Cl)c1
- Molecular Weight1
- 286.71
- 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° | -423.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -724.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.58 | kJ/mol | Joback Calculated Property |
| log10WS | -2.51 | Crippen Calculated Property | |
| logPoct/wat | 2.215 | Crippen Calculated Property | |
| McVol | 203.260 | ml/mol | McGowan Calculated Property |
| Pc | 2241.88 | kPa | Joback Calculated Property |
| Inp | [2475.00; 2475.00] |
|
|
| Inp | 2475.00 | NIST | |
| Inp | 2475.00 | NIST | |
| Tboil | 740.93 | K | Joback Calculated Property |
| Tc | 951.16 | K | Joback Calculated Property |
| Tfus | 471.68 | K | Joback Calculated Property |
| Vc | 0.770 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [538.67; 600.63] | J/mol×K | [740.93; 951.16] |
|
| Cp,gas | 538.67 | J/mol×K | 740.93 | Joback Calculated Property |
| Cp,gas | 551.27 | J/mol×K | 775.97 | Joback Calculated Property |
| Cp,gas | 562.97 | J/mol×K | 811.01 | Joback Calculated Property |
| Cp,gas | 573.76 | J/mol×K | 846.04 | Joback Calculated Property |
| Cp,gas | 583.64 | J/mol×K | 881.08 | Joback Calculated Property |
| Cp,gas | 592.60 | J/mol×K | 916.12 | Joback Calculated Property |
| Cp,gas | 600.63 | J/mol×K | 951.16 | Joback Calculated Property |
| η | [0.0000935; 0.0006652] | Pa×s | [471.68; 740.93] |
|
| η | 0.0006652 | Pa×s | 471.68 | Joback Calculated Property |
| η | 0.0004162 | Pa×s | 516.56 | Joback Calculated Property |
| η | 0.0002806 | Pa×s | 561.43 | Joback Calculated Property |
| η | 0.0002006 | Pa×s | 606.31 | Joback Calculated Property |
| η | 0.0001502 | Pa×s | 651.18 | Joback Calculated Property |
| η | 0.0001167 | Pa×s | 696.06 | Joback Calculated Property |
| η | 0.0000935 | Pa×s | 740.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 3-chlorophenyl propyl ester.
Sources
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