- InChI
- InChI=1S/C16H19Cl3O4/c1-9(2)10(3)22-14(20)5-4-6-15(21)23-13-8-11(17)7-12(18)16(13)19/h7-10H,4-6H2,1-3H3
- InChI Key
- BYYMVNADMQSYQJ-UHFFFAOYSA-N
- Formula
- C16H19Cl3O4
- SMILES
-
CC(C)C(C)OC(=O)CCCC(=O)Oc1cc(C
l)cc(Cl)c1Cl - Molecular Weight1
- 381.68
- 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° | -341.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -718.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.16 | kJ/mol | Joback Calculated Property |
| log10WS | -5.92 | Crippen Calculated Property | |
| logPoct/wat | 5.310 | Crippen Calculated Property | |
| McVol | 264.140 | ml/mol | McGowan Calculated Property |
| Pc | 1637.78 | kPa | Joback Calculated Property |
| Inp | [2438.00; 2438.00] |
|
|
| Inp | 2438.00 | NIST | |
| Inp | 2438.00 | NIST | |
| Tboil | 871.09 | K | Joback Calculated Property |
| Tc | 1091.17 | K | Joback Calculated Property |
| Tfus | 538.14 | K | Joback Calculated Property |
| Vc | 1.006 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [721.52; 775.86] | J/mol×K | [871.09; 1091.17] |
|
| Cp,gas | 721.52 | J/mol×K | 871.09 | Joback Calculated Property |
| Cp,gas | 733.29 | J/mol×K | 907.77 | Joback Calculated Property |
| Cp,gas | 743.97 | J/mol×K | 944.45 | Joback Calculated Property |
| Cp,gas | 753.55 | J/mol×K | 981.13 | Joback Calculated Property |
| Cp,gas | 762.06 | J/mol×K | 1017.81 | Joback Calculated Property |
| Cp,gas | 769.49 | J/mol×K | 1054.49 | Joback Calculated Property |
| Cp,gas | 775.86 | J/mol×K | 1091.17 | Joback Calculated Property |
| η | [0.0000534; 0.0004572] | Pa×s | [538.14; 871.09] |
|
| η | 0.0004572 | Pa×s | 538.14 | Joback Calculated Property |
| η | 0.0002705 | Pa×s | 593.63 | Joback Calculated Property |
| η | 0.0001750 | Pa×s | 649.12 | Joback Calculated Property |
| η | 0.0001213 | Pa×s | 704.62 | Joback Calculated Property |
| η | 0.0000887 | Pa×s | 760.11 | Joback Calculated Property |
| η | 0.0000676 | Pa×s | 815.60 | Joback Calculated Property |
| η | 0.0000534 | Pa×s | 871.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-methylbut-2-yl 2,3,5-trichlorophenyl ester.
Sources
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