- InChI
- InChI=1S/C14H17ClO5/c1-10(2)7-19-13(16)8-18-9-14(17)20-12-5-3-11(15)4-6-12/h3-6,10H,7-9H2,1-2H3
- InChI Key
- XQYILQLTZDKKCY-UHFFFAOYSA-N
- Formula
- C14H17ClO5
- SMILES
-
CC(C)COC(=O)COCC(=O)Oc1ccc(Cl)
cc1 - Molecular Weight1
- 300.74
- 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° | -417.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -750.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.42 | kJ/mol | Joback Calculated Property |
| log10WS | -2.69 | Crippen Calculated Property | |
| logPoct/wat | 2.461 | Crippen Calculated Property | |
| McVol | 217.350 | ml/mol | McGowan Calculated Property |
| Pc | 2066.12 | kPa | Joback Calculated Property |
| Inp | [2560.00; 2560.00] |
|
|
| Inp | 2560.00 | NIST | |
| Inp | 2560.00 | NIST | |
| Tboil | 763.37 | K | Joback Calculated Property |
| Tc | 974.49 | K | Joback Calculated Property |
| Tfus | 467.95 | K | Joback Calculated Property |
| Vc | 0.821 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [592.80; 657.06] | J/mol×K | [763.37; 974.49] |
|
| Cp,gas | 592.80 | J/mol×K | 763.37 | Joback Calculated Property |
| Cp,gas | 605.99 | J/mol×K | 798.56 | Joback Calculated Property |
| Cp,gas | 618.19 | J/mol×K | 833.74 | Joback Calculated Property |
| Cp,gas | 629.41 | J/mol×K | 868.93 | Joback Calculated Property |
| Cp,gas | 639.63 | J/mol×K | 904.12 | Joback Calculated Property |
| Cp,gas | 648.84 | J/mol×K | 939.30 | Joback Calculated Property |
| Cp,gas | 657.06 | J/mol×K | 974.49 | Joback Calculated Property |
| η | [0.0000755; 0.0006922] | Pa×s | [467.95; 763.37] |
|
| η | 0.0006922 | Pa×s | 467.95 | Joback Calculated Property |
| η | 0.0004014 | Pa×s | 517.19 | Joback Calculated Property |
| η | 0.0002559 | Pa×s | 566.42 | Joback Calculated Property |
| η | 0.0001753 | Pa×s | 615.66 | Joback Calculated Property |
| η | 0.0001270 | Pa×s | 664.90 | Joback Calculated Property |
| η | 0.0000962 | Pa×s | 714.13 | Joback Calculated Property |
| η | 0.0000755 | Pa×s | 763.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 4-chlorophenyl isobutyl ester.
Sources
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