- InChI
- InChI=1S/C14H17ClO5/c1-3-6-19-13(16)8-18-9-14(17)20-12-5-4-11(15)7-10(12)2/h4-5,7H,3,6,8-9H2,1-2H3
- InChI Key
- DSKTUHJJUFQFEB-UHFFFAOYSA-N
- Formula
- C14H17ClO5
- SMILES
-
CCCOC(=O)COCC(=O)Oc1ccc(Cl)cc1
C - 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° | -424.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -756.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.47 | kJ/mol | Joback Calculated Property |
| log10WS | -2.99 | Crippen Calculated Property | |
| logPoct/wat | 2.524 | Crippen Calculated Property | |
| McVol | 217.350 | ml/mol | McGowan Calculated Property |
| Pc | 2023.58 | kPa | Joback Calculated Property |
| Inp | [2571.00; 2571.00] |
|
|
| Inp | 2571.00 | NIST | |
| Inp | 2571.00 | NIST | |
| Tboil | 768.79 | K | Joback Calculated Property |
| Tc | 977.57 | K | Joback Calculated Property |
| Tfus | 495.47 | K | Joback Calculated Property |
| Vc | 0.827 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [591.02; 654.11] | J/mol×K | [768.79; 977.57] |
|
| Cp,gas | 591.02 | J/mol×K | 768.79 | Joback Calculated Property |
| Cp,gas | 603.91 | J/mol×K | 803.59 | Joback Calculated Property |
| Cp,gas | 615.87 | J/mol×K | 838.38 | Joback Calculated Property |
| Cp,gas | 626.88 | J/mol×K | 873.18 | Joback Calculated Property |
| Cp,gas | 636.93 | J/mol×K | 907.98 | Joback Calculated Property |
| Cp,gas | 646.01 | J/mol×K | 942.78 | Joback Calculated Property |
| Cp,gas | 654.11 | J/mol×K | 977.57 | Joback Calculated Property |
| η | [0.0000824; 0.0005286] | Pa×s | [495.47; 768.79] |
|
| η | 0.0005286 | Pa×s | 495.47 | Joback Calculated Property |
| η | 0.0003404 | Pa×s | 541.02 | Joback Calculated Property |
| η | 0.0002347 | Pa×s | 586.58 | Joback Calculated Property |
| η | 0.0001708 | Pa×s | 632.13 | Joback Calculated Property |
| η | 0.0001297 | Pa×s | 677.68 | Joback Calculated Property |
| η | 0.0001019 | Pa×s | 723.24 | Joback Calculated Property |
| η | 0.0000824 | Pa×s | 768.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 4-chloro-2-methylphenyl propyl ester.
Sources
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