- InChI
- InChI=1S/C16H19Cl3O5/c1-2-3-4-5-6-23-14(20)9-22-10-15(21)24-16-12(18)7-11(17)8-13(16)19/h7-8H,2-6,9-10H2,1H3
- InChI Key
- LKHKXTBAYIYREV-UHFFFAOYSA-N
- Formula
- C16H19Cl3O5
- SMILES
-
CCCCCCOC(=O)COCC(=O)Oc1c(Cl)cc
(Cl)cc1Cl - Molecular Weight1
- 397.68
- 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° | -441.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -840.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.35 | kJ/mol | Joback Calculated Property |
| log10WS | -5.14 | Crippen Calculated Property | |
| logPoct/wat | 4.692 | Crippen Calculated Property | |
| McVol | 270.010 | ml/mol | McGowan Calculated Property |
| Pc | 1594.89 | kPa | Joback Calculated Property |
| Inp | [3134.00; 3134.00] |
|
|
| Inp | 3134.00 | NIST | |
| Inp | 3134.00 | NIST | |
| Tboil | 894.39 | K | Joback Calculated Property |
| Tc | 1109.85 | K | Joback Calculated Property |
| Tfus | 590.37 | K | Joback Calculated Property |
| Vc | 1.036 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [746.29; 795.34] | J/mol×K | [894.39; 1109.85] |
|
| Cp,gas | 746.29 | J/mol×K | 894.39 | Joback Calculated Property |
| Cp,gas | 757.32 | J/mol×K | 930.30 | Joback Calculated Property |
| Cp,gas | 767.22 | J/mol×K | 966.21 | Joback Calculated Property |
| Cp,gas | 775.97 | J/mol×K | 1002.12 | Joback Calculated Property |
| Cp,gas | 783.58 | J/mol×K | 1038.03 | Joback Calculated Property |
| Cp,gas | 790.04 | J/mol×K | 1073.94 | Joback Calculated Property |
| Cp,gas | 795.34 | J/mol×K | 1109.85 | Joback Calculated Property |
| η | [0.0000476; 0.0002787] | Pa×s | [590.37; 894.39] |
|
| η | 0.0002787 | Pa×s | 590.37 | Joback Calculated Property |
| η | 0.0001848 | Pa×s | 641.04 | Joback Calculated Property |
| η | 0.0001301 | Pa×s | 691.71 | Joback Calculated Property |
| η | 0.0000961 | Pa×s | 742.38 | Joback Calculated Property |
| η | 0.0000738 | Pa×s | 793.05 | Joback Calculated Property |
| η | 0.0000585 | Pa×s | 843.72 | Joback Calculated Property |
| η | 0.0000476 | Pa×s | 894.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, hexyl 2,4,6-trichlorophenyl ester.
Sources
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