- InChI
- InChI=1S/C17H23ClO5/c1-3-4-5-6-9-22-16(19)11-21-12-17(20)23-15-8-7-14(18)10-13(15)2/h7-8,10H,3-6,9,11-12H2,1-2H3
- InChI Key
- DRQYRDFZIXIMAH-UHFFFAOYSA-N
- Formula
- C17H23ClO5
- SMILES
-
CCCCCCOC(=O)COCC(=O)Oc1ccc(Cl)
cc1C - Molecular Weight1
- 342.81
- 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° | -399.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -818.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.14 | kJ/mol | Joback Calculated Property |
| log10WS | -4.24 | Crippen Calculated Property | |
| logPoct/wat | 3.694 | Crippen Calculated Property | |
| McVol | 259.620 | ml/mol | McGowan Calculated Property |
| Pc | 1586.01 | kPa | Joback Calculated Property |
| Inp | [2956.00; 2956.00] |
|
|
| Inp | 2956.00 | NIST | |
| Inp | 2956.00 | NIST | |
| Tboil | 837.43 | K | Joback Calculated Property |
| Tc | 1042.91 | K | Joback Calculated Property |
| Tfus | 529.28 | K | Joback Calculated Property |
| Vc | 0.995 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [758.01; 824.12] | J/mol×K | [837.43; 1042.91] |
|
| Cp,gas | 758.01 | J/mol×K | 837.43 | Joback Calculated Property |
| Cp,gas | 771.77 | J/mol×K | 871.68 | Joback Calculated Property |
| Cp,gas | 784.43 | J/mol×K | 905.92 | Joback Calculated Property |
| Cp,gas | 796.00 | J/mol×K | 940.17 | Joback Calculated Property |
| Cp,gas | 806.47 | J/mol×K | 974.41 | Joback Calculated Property |
| Cp,gas | 815.84 | J/mol×K | 1008.66 | Joback Calculated Property |
| Cp,gas | 824.12 | J/mol×K | 1042.91 | Joback Calculated Property |
| η | [0.0000550; 0.0004050] | Pa×s | [529.28; 837.43] |
|
| η | 0.0004050 | Pa×s | 529.28 | Joback Calculated Property |
| η | 0.0002506 | Pa×s | 580.64 | Joback Calculated Property |
| η | 0.0001677 | Pa×s | 632.00 | Joback Calculated Property |
| η | 0.0001192 | Pa×s | 683.36 | Joback Calculated Property |
| η | 0.0000888 | Pa×s | 734.71 | Joback Calculated Property |
| η | 0.0000688 | Pa×s | 786.07 | Joback Calculated Property |
| η | 0.0000550 | Pa×s | 837.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 4-chloro-2-methylphenyl hexyl ester.
Sources
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