- InChI
- InChI=1S/C15H17Cl3O4/c1-9(2)8-21-13(19)4-3-5-14(20)22-10-6-11(16)15(18)12(17)7-10/h6-7,9H,3-5,8H2,1-2H3
- InChI Key
- XNYSESZLRODKDH-UHFFFAOYSA-N
- Formula
- C15H17Cl3O4
- SMILES
-
CC(C)COC(=O)CCCC(=O)Oc1cc(Cl)c
(Cl)c(Cl)c1 - Molecular Weight1
- 367.65
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8552 | Relay (... Calculated Property | |
| ΔfG° | -347.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -827.79 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 42.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.07 | kJ/mol | Relay (... Calculated Property |
| IE | 8.81 | eV | Relay (... Calculated Property |
| log10WS | -5.78 | Relay (... Calculated Property | |
| logPoct/wat | 4.922 | Crippen Calculated Property | |
| McVol | 250.050 | ml/mol | McGowan Calculated Property |
| Pc | 1760.97 | kPa | Joback Calculated Property |
| Inp | 2506.00 | NIST | |
| Tboil | 632.01 | K | Relay (... Calculated Property |
| Tc | 865.66 | K | Relay (... Calculated Property |
| Tfus | 340.36 | K | Relay (... Calculated Property |
| Vc | 0.913 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [665.23; 718.50] | J/mol×K | [848.65; 1067.46] | 
|
| Cp,gas | 665.23 | J/mol×K | 848.65 | Joback Calculated Property |
| Cp,gas | 676.64 | J/mol×K | 885.12 | Joback Calculated Property |
| Cp,gas | 687.02 | J/mol×K | 921.59 | Joback Calculated Property |
| Cp,gas | 696.40 | J/mol×K | 958.05 | Joback Calculated Property |
| Cp,gas | 704.76 | J/mol×K | 994.52 | Joback Calculated Property |
| Cp,gas | 712.13 | J/mol×K | 1030.99 | Joback Calculated Property |
| Cp,gas | 718.50 | J/mol×K | 1067.46 | Joback Calculated Property |
| η | [0.0000674; 0.0004634] | Pa×s | [541.87; 848.65] |
|
| η | 0.0004634 | Pa×s | 541.87 | Joback Calculated Property |
| η | 0.0002925 | Pa×s | 593.00 | Joback Calculated Property |
| η | 0.0001987 | Pa×s | 644.13 | Joback Calculated Property |
| η | 0.0001428 | Pa×s | 695.26 | Joback Calculated Property |
| η | 0.0001074 | Pa×s | 746.39 | Joback Calculated Property |
| η | 0.0000838 | Pa×s | 797.52 | Joback Calculated Property |
| η | 0.0000674 | Pa×s | 848.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isobutyl 3,4,5-trichlorophenyl ester.
Sources
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