- InChI
- InChI=1S/C14H15Cl3O5/c1-8(2)5-21-12(18)6-20-7-13(19)22-14-10(16)3-9(15)4-11(14)17/h3-4,8H,5-7H2,1-2H3
- InChI Key
- NVYHZCGKBVPWNX-UHFFFAOYSA-N
- Formula
- C14H15Cl3O5
- SMILES
-
CC(C)COC(=O)COCC(=O)Oc1c(Cl)cc
(Cl)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° | -460.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -804.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.51 | kJ/mol | Joback Calculated Property |
| log10WS | -4.06 | Crippen Calculated Property | |
| logPoct/wat | 3.768 | Crippen Calculated Property | |
| McVol | 241.830 | ml/mol | McGowan Calculated Property |
| Pc | 1883.80 | kPa | Joback Calculated Property |
| Inp | [2812.00; 2812.00] |
|
|
| Inp | 2812.00 | NIST | |
| Inp | 2812.00 | NIST | |
| Tboil | 848.19 | K | Joback Calculated Property |
| Tc | 1067.72 | K | Joback Calculated Property |
| Tfus | 552.83 | K | Joback Calculated Property |
| Vc | 0.918 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [635.60; 683.40] | J/mol×K | [848.19; 1067.72] |
|
| Cp,gas | 635.60 | J/mol×K | 848.19 | Joback Calculated Property |
| Cp,gas | 646.25 | J/mol×K | 884.78 | Joback Calculated Property |
| Cp,gas | 655.85 | J/mol×K | 921.37 | Joback Calculated Property |
| Cp,gas | 664.38 | J/mol×K | 957.95 | Joback Calculated Property |
| Cp,gas | 671.83 | J/mol×K | 994.54 | Joback Calculated Property |
| Cp,gas | 678.17 | J/mol×K | 1031.13 | Joback Calculated Property |
| Cp,gas | 683.40 | J/mol×K | 1067.72 | Joback Calculated Property |
| η | [0.0000582; 0.0003656] | Pa×s | [552.83; 848.19] |
|
| η | 0.0003656 | Pa×s | 552.83 | Joback Calculated Property |
| η | 0.0002375 | Pa×s | 602.06 | Joback Calculated Property |
| η | 0.0001646 | Pa×s | 651.28 | Joback Calculated Property |
| η | 0.0001201 | Pa×s | 700.51 | Joback Calculated Property |
| η | 0.0000914 | Pa×s | 749.74 | Joback Calculated Property |
| η | 0.0000719 | Pa×s | 798.96 | Joback Calculated Property |
| η | 0.0000582 | Pa×s | 848.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, isobutyl 2,4,6-trichlorophenyl ester.
Sources
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