- InChI
- InChI=1S/C14H16Cl2O5/c1-9(2)6-20-12(17)7-19-8-13(18)21-14-10(15)4-3-5-11(14)16/h3-5,9H,6-8H2,1-2H3
- InChI Key
- NYIZQQIMJPZHTB-UHFFFAOYSA-N
- Formula
- C14H16Cl2O5
- SMILES
-
CC(C)COC(=O)COCC(=O)Oc1c(Cl)cc
cc1Cl - Molecular Weight1
- 335.18
- 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° | -438.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -777.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.46 | kJ/mol | Joback Calculated Property |
| log10WS | -3.38 | Crippen Calculated Property | |
| logPoct/wat | 3.115 | Crippen Calculated Property | |
| McVol | 229.590 | ml/mol | McGowan Calculated Property |
| Pc | 1971.80 | kPa | Joback Calculated Property |
| Inp | [2669.00; 2669.00] |
|
|
| Inp | 2669.00 | NIST | |
| Inp | 2669.00 | NIST | |
| Tboil | 805.78 | K | Joback Calculated Property |
| Tc | 1021.07 | K | Joback Calculated Property |
| Tfus | 510.39 | K | Joback Calculated Property |
| Vc | 0.870 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [615.26; 671.46] | J/mol×K | [805.78; 1021.07] |
|
| Cp,gas | 615.26 | J/mol×K | 805.78 | Joback Calculated Property |
| Cp,gas | 627.20 | J/mol×K | 841.66 | Joback Calculated Property |
| Cp,gas | 638.12 | J/mol×K | 877.54 | Joback Calculated Property |
| Cp,gas | 648.01 | J/mol×K | 913.43 | Joback Calculated Property |
| Cp,gas | 656.87 | J/mol×K | 949.31 | Joback Calculated Property |
| Cp,gas | 664.69 | J/mol×K | 985.19 | Joback Calculated Property |
| Cp,gas | 671.46 | J/mol×K | 1021.07 | Joback Calculated Property |
| η | [0.0000665; 0.0004965] | Pa×s | [510.39; 805.78] |
|
| η | 0.0004965 | Pa×s | 510.39 | Joback Calculated Property |
| η | 0.0003065 | Pa×s | 559.62 | Joback Calculated Property |
| η | 0.0002046 | Pa×s | 608.85 | Joback Calculated Property |
| η | 0.0001450 | Pa×s | 658.09 | Joback Calculated Property |
| η | 0.0001079 | Pa×s | 707.32 | Joback Calculated Property |
| η | 0.0000834 | Pa×s | 756.55 | Joback Calculated Property |
| η | 0.0000665 | Pa×s | 805.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 2,6-dichlorophenyl isobutyl ester.
Sources
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