- 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
- 369.63
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -880.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.06 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.912 | Crippen Calculated Property | |
| McVol | 241.830 | ml/mol | McGowan Calculated Property |
| Inp | [2874.00; 2874.00] |
|
|
| Inp | 2874.00 | NIST | |
| Inp | 2874.00 | NIST | |
| Tboil | 610.91 | K | Relay (1.0) Calculated Property |
| Tc | 855.12 | K | Relay (1.0) Calculated Property |
| Tfus | 306.88 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [628.66; 677.24] | J/mol×K | [812.69; 1025.43] |
|
| Cp,gas | 628.66 | J/mol×K | 812.69 | Joback Calculated Property |
| Cp,gas | 639.43 | J/mol×K | 848.15 | Joback Calculated Property |
| Cp,gas | 649.14 | J/mol×K | 883.60 | Joback Calculated Property |
| Cp,gas | 657.79 | J/mol×K | 919.06 | Joback Calculated Property |
| Cp,gas | 665.36 | J/mol×K | 954.52 | Joback Calculated Property |
| Cp,gas | 671.85 | J/mol×K | 989.98 | Joback Calculated Property |
| Cp,gas | 677.24 | J/mol×K | 1025.43 | Joback Calculated Property |
| η | [0.0000491; 0.0004239] | Pa×s | [508.17; 812.69] |
|
| η | 0.0004239 | Pa×s | 508.17 | Joback Calculated Property |
| η | 0.0002514 | Pa×s | 558.92 | Joback Calculated Property |
| η | 0.0001627 | Pa×s | 609.68 | Joback Calculated Property |
| η | 0.0001125 | Pa×s | 660.43 | Joback Calculated Property |
| η | 0.0000820 | Pa×s | 711.18 | Joback Calculated Property |
| η | 0.0000624 | Pa×s | 761.94 | Joback Calculated Property |
| η | 0.0000491 | Pa×s | 812.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, butyl 2,4,6-trichlorophenyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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