- InChI
- InChI=1S/C14H16Cl2O5/c1-2-3-6-20-13(17)8-19-9-14(18)21-12-5-4-10(15)7-11(12)16/h4-5,7H,2-3,6,8-9H2,1H3
- InChI Key
- SBZBCYJTJOIIEC-UHFFFAOYSA-N
- Formula
- C14H16Cl2O5
- SMILES
-
CCCCOC(=O)COCC(=O)Oc1ccc(Cl)cc
1Cl - Molecular Weight1
- 335.18
- 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° | -436.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -772.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.85 | kJ/mol | Joback Calculated Property |
| log10WS | -3.62 | Crippen Calculated Property | |
| logPoct/wat | 3.259 | Crippen Calculated Property | |
| McVol | 229.590 | ml/mol | McGowan Calculated Property |
| Pc | 1957.87 | kPa | Joback Calculated Property |
| Inp | [2957.00; 2957.00] |
|
|
| Inp | 2957.00 | NIST | |
| Inp | 2957.00 | NIST | |
| Tboil | 806.22 | K | Joback Calculated Property |
| Tc | 1018.57 | K | Joback Calculated Property |
| Tfus | 525.39 | K | Joback Calculated Property |
| Vc | 0.875 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [614.67; 670.52] | J/mol×K | [806.22; 1018.57] |
|
| Cp,gas | 614.67 | J/mol×K | 806.22 | Joback Calculated Property |
| Cp,gas | 626.44 | J/mol×K | 841.61 | Joback Calculated Property |
| Cp,gas | 637.25 | J/mol×K | 877.00 | Joback Calculated Property |
| Cp,gas | 647.07 | J/mol×K | 912.39 | Joback Calculated Property |
| Cp,gas | 655.89 | J/mol×K | 947.78 | Joback Calculated Property |
| Cp,gas | 663.71 | J/mol×K | 983.17 | Joback Calculated Property |
| Cp,gas | 670.52 | J/mol×K | 1018.57 | Joback Calculated Property |
| η | [0.0000724; 0.0004517] | Pa×s | [525.39; 806.22] |
|
| η | 0.0004517 | Pa×s | 525.39 | Joback Calculated Property |
| η | 0.0002939 | Pa×s | 572.19 | Joback Calculated Property |
| η | 0.0002041 | Pa×s | 619.00 | Joback Calculated Property |
| η | 0.0001491 | Pa×s | 665.81 | Joback Calculated Property |
| η | 0.0001136 | Pa×s | 712.61 | Joback Calculated Property |
| η | 0.0000895 | Pa×s | 759.41 | Joback Calculated Property |
| η | 0.0000724 | Pa×s | 806.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, butyl 2,4-dichlorophenyl ester.
Sources
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