- InChI
- InChI=1S/C16H20Cl2O5/c1-2-3-4-5-9-22-14(19)10-21-11-15(20)23-13-8-6-7-12(17)16(13)18/h6-8H,2-5,9-11H2,1H3
- InChI Key
- POKUFUFTSBWCLX-UHFFFAOYSA-N
- Formula
- C16H20Cl2O5
- SMILES
-
CCCCCCOC(=O)COCC(=O)Oc1cccc(Cl
)c1Cl - Molecular Weight1
- 363.23
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9302 | Relay (1.0) Calculated Property | |
| ΔfG° | -419.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -920.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.039 | Crippen Calculated Property | |
| McVol | 257.770 | ml/mol | McGowan Calculated Property |
| Pc | 1663.26 | kPa | Joback Calculated Property |
| Inp | [3068.00; 3068.00] |
|
|
| Inp | 3068.00 | NIST | |
| Inp | 3068.00 | NIST | |
| Tboil | 639.30 | K | Relay (1.0) Calculated Property |
| Tc | 861.90 | K | Relay (1.0) Calculated Property |
| Tfus | 306.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.947 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [725.51; 783.27] | J/mol×K | [851.98; 1062.16] |
|
| Cp,gas | 725.51 | J/mol×K | 851.98 | Joback Calculated Property |
| Cp,gas | 737.85 | J/mol×K | 887.01 | Joback Calculated Property |
| Cp,gas | 749.10 | J/mol×K | 922.04 | Joback Calculated Property |
| Cp,gas | 759.27 | J/mol×K | 957.07 | Joback Calculated Property |
| Cp,gas | 768.36 | J/mol×K | 992.10 | Joback Calculated Property |
| Cp,gas | 776.36 | J/mol×K | 1027.13 | Joback Calculated Property |
| Cp,gas | 783.27 | J/mol×K | 1062.16 | Joback Calculated Property |
| η | [0.0000547; 0.0003735] | Pa×s | [547.93; 851.98] |
|
| η | 0.0003735 | Pa×s | 547.93 | Joback Calculated Property |
| η | 0.0002368 | Pa×s | 598.61 | Joback Calculated Property |
| η | 0.0001612 | Pa×s | 649.28 | Joback Calculated Property |
| η | 0.0001160 | Pa×s | 699.96 | Joback Calculated Property |
| η | 0.0000873 | Pa×s | 750.63 | Joback Calculated Property |
| η | 0.0000681 | Pa×s | 801.31 | Joback Calculated Property |
| η | 0.0000547 | Pa×s | 851.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 2,3-dichlorophenyl hexyl ester.
Sources
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