- InChI
- InChI=1S/C15H19ClO5/c1-3-4-7-20-14(17)9-19-10-15(18)21-13-6-5-12(16)8-11(13)2/h5-6,8H,3-4,7,9-10H2,1-2H3
- InChI Key
- JILYNDNUVLATGE-UHFFFAOYSA-N
- Formula
- C15H19ClO5
- SMILES
-
CCCCOC(=O)COCC(=O)Oc1ccc(Cl)cc
1C - Molecular Weight1
- 314.76
- 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° | -416.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -776.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.69 | kJ/mol | Joback Calculated Property |
| log10WS | -3.41 | Crippen Calculated Property | |
| logPoct/wat | 2.914 | Crippen Calculated Property | |
| McVol | 231.440 | ml/mol | McGowan Calculated Property |
| Pc | 1859.51 | kPa | Joback Calculated Property |
| Inp | [2697.00; 2697.00] |
|
|
| Inp | 2697.00 | NIST | |
| Inp | 2697.00 | NIST | |
| Tboil | 791.67 | K | Joback Calculated Property |
| Tc | 998.75 | K | Joback Calculated Property |
| Tfus | 506.74 | K | Joback Calculated Property |
| Vc | 0.882 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [645.71; 710.12] | J/mol×K | [791.67; 998.75] |
|
| Cp,gas | 645.71 | J/mol×K | 791.67 | Joback Calculated Property |
| Cp,gas | 658.94 | J/mol×K | 826.18 | Joback Calculated Property |
| Cp,gas | 671.19 | J/mol×K | 860.70 | Joback Calculated Property |
| Cp,gas | 682.43 | J/mol×K | 895.21 | Joback Calculated Property |
| Cp,gas | 692.67 | J/mol×K | 929.73 | Joback Calculated Property |
| Cp,gas | 701.90 | J/mol×K | 964.24 | Joback Calculated Property |
| Cp,gas | 710.12 | J/mol×K | 998.75 | Joback Calculated Property |
| η | [0.0000723; 0.0004861] | Pa×s | [506.74; 791.67] |
|
| η | 0.0004861 | Pa×s | 506.74 | Joback Calculated Property |
| η | 0.0003088 | Pa×s | 554.23 | Joback Calculated Property |
| η | 0.0002107 | Pa×s | 601.72 | Joback Calculated Property |
| η | 0.0001520 | Pa×s | 649.20 | Joback Calculated Property |
| η | 0.0001147 | Pa×s | 696.69 | Joback Calculated Property |
| η | 0.0000897 | Pa×s | 744.18 | Joback Calculated Property |
| η | 0.0000723 | Pa×s | 791.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, butyl 4-chloro-2-methylphenyl ester.
Sources
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