- InChI
- InChI=1S/C16H21ClO5/c1-12(2)5-4-8-21-15(18)10-20-11-16(19)22-14-7-3-6-13(17)9-14/h3,6-7,9,12H,4-5,8,10-11H2,1-2H3
- InChI Key
- LUSYYZFNYZJQDR-UHFFFAOYSA-N
- Formula
- C16H21ClO5
- SMILES
-
CC(C)CCCOC(=O)COCC(=O)Oc1cccc(
Cl)c1 - Molecular Weight1
- 328.79
- 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° | -400.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -791.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.87 | kJ/mol | Joback Calculated Property |
| log10WS | -3.53 | Crippen Calculated Property | |
| logPoct/wat | 3.241 | Crippen Calculated Property | |
| McVol | 245.530 | ml/mol | McGowan Calculated Property |
| Pc | 1747.74 | kPa | Joback Calculated Property |
| Inp | [2805.00; 2805.00] |
|
|
| Inp | 2805.00 | NIST | |
| Inp | 2805.00 | NIST | |
| Tboil | 809.13 | K | Joback Calculated Property |
| Tc | 1016.81 | K | Joback Calculated Property |
| Tfus | 490.49 | K | Joback Calculated Property |
| Vc | 0.932 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [703.05; 769.51] | J/mol×K | [809.13; 1016.81] |
|
| Cp,gas | 703.05 | J/mol×K | 809.13 | Joback Calculated Property |
| Cp,gas | 716.81 | J/mol×K | 843.74 | Joback Calculated Property |
| Cp,gas | 729.50 | J/mol×K | 878.36 | Joback Calculated Property |
| Cp,gas | 741.11 | J/mol×K | 912.97 | Joback Calculated Property |
| Cp,gas | 751.65 | J/mol×K | 947.58 | Joback Calculated Property |
| Cp,gas | 761.11 | J/mol×K | 982.20 | Joback Calculated Property |
| Cp,gas | 769.51 | J/mol×K | 1016.81 | Joback Calculated Property |
| η | [0.0000574; 0.0005736] | Pa×s | [490.49; 809.13] |
|
| η | 0.0005736 | Pa×s | 490.49 | Joback Calculated Property |
| η | 0.0003241 | Pa×s | 543.60 | Joback Calculated Property |
| η | 0.0002027 | Pa×s | 596.70 | Joback Calculated Property |
| η | 0.0001369 | Pa×s | 649.81 | Joback Calculated Property |
| η | 0.0000981 | Pa×s | 702.92 | Joback Calculated Property |
| η | 0.0000736 | Pa×s | 756.02 | Joback Calculated Property |
| η | 0.0000574 | Pa×s | 809.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 3-chlorophenyl isohexyl ester.
Sources
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