- InChI
- InChI=1S/C14H15Cl3O5/c1-2-3-4-21-12(18)7-20-8-13(19)22-14-10(16)5-9(15)6-11(14)17/h5-6H,2-4,7-8H2,1H3
- InChI Key
- ADAKUVKETHXTSS-UHFFFAOYSA-N
- Formula
- C14H15Cl3O5
- SMILES
-
CCCCOC(=O)COCC(=O)Oc1c(Cl)cc(C
l)cc1Cl - Molecular Weight1
- 369.62
- 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° | -458.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -799.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.90 | kJ/mol | Joback Calculated Property |
| log10WS | -4.30 | Crippen Calculated Property | |
| logPoct/wat | 3.912 | Crippen Calculated Property | |
| McVol | 241.830 | ml/mol | McGowan Calculated Property |
| Pc | 1870.79 | kPa | Joback Calculated Property |
| Inp | [2874.00; 2874.00] |
|
|
| Inp | 2874.00 | NIST | |
| Inp | 2874.00 | NIST | |
| Tboil | 848.63 | K | Joback Calculated Property |
| Tc | 1065.41 | K | Joback Calculated Property |
| Tfus | 567.83 | K | Joback Calculated Property |
| Vc | 0.924 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [635.00; 682.72] | J/mol×K | [848.63; 1065.41] |
|
| Cp,gas | 635.00 | J/mol×K | 848.63 | Joback Calculated Property |
| Cp,gas | 645.54 | J/mol×K | 884.76 | Joback Calculated Property |
| Cp,gas | 655.07 | J/mol×K | 920.89 | Joback Calculated Property |
| Cp,gas | 663.56 | J/mol×K | 957.02 | Joback Calculated Property |
| Cp,gas | 671.01 | J/mol×K | 993.15 | Joback Calculated Property |
| Cp,gas | 677.40 | J/mol×K | 1029.28 | Joback Calculated Property |
| Cp,gas | 682.72 | J/mol×K | 1065.41 | Joback Calculated Property |
| η | [0.0000635; 0.0003402] | Pa×s | [567.83; 848.63] |
|
| η | 0.0003402 | Pa×s | 567.83 | Joback Calculated Property |
| η | 0.0002312 | Pa×s | 614.63 | Joback Calculated Property |
| η | 0.0001659 | Pa×s | 661.43 | Joback Calculated Property |
| η | 0.0001244 | Pa×s | 708.23 | Joback Calculated Property |
| η | 0.0000967 | Pa×s | 755.03 | Joback Calculated Property |
| η | 0.0000774 | Pa×s | 801.83 | Joback Calculated Property |
| η | 0.0000635 | Pa×s | 848.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, butyl 2,4,6-trichlorophenyl ester.
Sources
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