- InChI
- InChI=1S/C18H21Cl3O4/c1-11(12-5-2-3-6-12)24-16(22)7-4-8-17(23)25-18-14(20)9-13(19)10-15(18)21/h9-12H,2-8H2,1H3
- InChI Key
- HTXYQXCXIUSLAQ-UHFFFAOYSA-N
- Formula
- C18H21Cl3O4
- SMILES
-
CC(OC(=O)CCCC(=O)Oc1c(Cl)cc(Cl
)cc1Cl)C1CCCC1 - Molecular Weight1
- 407.72
- 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° | -285.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -694.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.26 | kJ/mol | Joback Calculated Property |
| log10WS | -6.65 | Crippen Calculated Property | |
| logPoct/wat | 5.844 | Crippen Calculated Property | |
| McVol | 281.460 | ml/mol | McGowan Calculated Property |
| Pc | 1611.58 | kPa | Joback Calculated Property |
| Inp | [2717.00; 2717.00] |
|
|
| Inp | 2717.00 | NIST | |
| Inp | 2717.00 | NIST | |
| Tboil | 932.57 | K | Joback Calculated Property |
| Tc | 1165.25 | K | Joback Calculated Property |
| Tfus | 586.58 | K | Joback Calculated Property |
| Vc | 1.065 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [823.58; 877.41] | J/mol×K | [932.57; 1165.25] |
|
| Cp,gas | 823.58 | J/mol×K | 932.57 | Joback Calculated Property |
| Cp,gas | 835.83 | J/mol×K | 971.35 | Joback Calculated Property |
| Cp,gas | 846.72 | J/mol×K | 1010.13 | Joback Calculated Property |
| Cp,gas | 856.29 | J/mol×K | 1048.91 | Joback Calculated Property |
| Cp,gas | 864.58 | J/mol×K | 1087.69 | Joback Calculated Property |
| Cp,gas | 871.61 | J/mol×K | 1126.47 | Joback Calculated Property |
| Cp,gas | 877.41 | J/mol×K | 1165.25 | Joback Calculated Property |
| η | [0.0000661; 0.0004650] | Pa×s | [586.58; 932.57] |
|
| η | 0.0004650 | Pa×s | 586.58 | Joback Calculated Property |
| η | 0.0002904 | Pa×s | 644.25 | Joback Calculated Property |
| η | 0.0001960 | Pa×s | 701.91 | Joback Calculated Property |
| η | 0.0001404 | Pa×s | 759.58 | Joback Calculated Property |
| η | 0.0001054 | Pa×s | 817.24 | Joback Calculated Property |
| η | 0.0000822 | Pa×s | 874.90 | Joback Calculated Property |
| η | 0.0000661 | Pa×s | 932.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 1-cyclopentylethyl 2,4,6-trichlorophenyl ester.
Sources
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