- InChI
- InChI=1S/C18H23Cl3O4/c1-12(2)6-5-9-24-16(22)7-3-4-8-17(23)25-15-11-13(19)10-14(20)18(15)21/h10-12H,3-9H2,1-2H3
- InChI Key
- IHLBTOAFYYLLRZ-UHFFFAOYSA-N
- Formula
- C18H23Cl3O4
- SMILES
-
CC(C)CCCOC(=O)CCCCC(=O)Oc1cc(C
l)cc(Cl)c1Cl - Molecular Weight1
- 409.73
- 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° | -321.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -754.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.00 | kJ/mol | Joback Calculated Property |
| log10WS | -6.65 | Crippen Calculated Property | |
| logPoct/wat | 6.092 | Crippen Calculated Property | |
| McVol | 292.320 | ml/mol | McGowan Calculated Property |
| Pc | 1401.69 | kPa | Joback Calculated Property |
| Inp | [2697.00; 2697.00] |
|
|
| Inp | 2697.00 | NIST | |
| Inp | 2697.00 | NIST | |
| Tboil | 917.29 | K | Joback Calculated Property |
| Tc | 1134.50 | K | Joback Calculated Property |
| Tfus | 575.68 | K | Joback Calculated Property |
| Vc | 1.125 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [834.79; 890.30] | J/mol×K | [917.29; 1134.50] |
|
| Cp,gas | 834.79 | J/mol×K | 917.29 | Joback Calculated Property |
| Cp,gas | 846.87 | J/mol×K | 953.49 | Joback Calculated Property |
| Cp,gas | 857.80 | J/mol×K | 989.69 | Joback Calculated Property |
| Cp,gas | 867.60 | J/mol×K | 1025.89 | Joback Calculated Property |
| Cp,gas | 876.27 | J/mol×K | 1062.09 | Joback Calculated Property |
| Cp,gas | 883.83 | J/mol×K | 1098.30 | Joback Calculated Property |
| Cp,gas | 890.30 | J/mol×K | 1134.50 | Joback Calculated Property |
| η | [0.0000436; 0.0003394] | Pa×s | [575.68; 917.29] |
|
| η | 0.0003394 | Pa×s | 575.68 | Joback Calculated Property |
| η | 0.0002067 | Pa×s | 632.62 | Joback Calculated Property |
| η | 0.0001366 | Pa×s | 689.55 | Joback Calculated Property |
| η | 0.0000962 | Pa×s | 746.49 | Joback Calculated Property |
| η | 0.0000711 | Pa×s | 803.42 | Joback Calculated Property |
| η | 0.0000548 | Pa×s | 860.36 | Joback Calculated Property |
| η | 0.0000436 | Pa×s | 917.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, isohexyl 2,3,5-trichlorophenyl ester.
Sources
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