- InChI
- InChI=1S/C11H11Cl3O2/c1-6(2)3-11(15)16-10-5-8(13)7(12)4-9(10)14/h4-6H,3H2,1-2H3
- InChI Key
- JAPFIXZLXNGZGL-UHFFFAOYSA-N
- Formula
- C11H11Cl3O2
- SMILES
- CC(C)CC(=O)Oc1cc(Cl)c(Cl)cc1Cl
- Molecular Weight1
- 281.56
- 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° | -146.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -365.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.27 | kJ/mol | Joback Calculated Property |
| log10WS | -4.85 | Crippen Calculated Property | |
| logPoct/wat | 4.598 | Crippen Calculated Property | |
| McVol | 186.250 | ml/mol | McGowan Calculated Property |
| Pc | 2391.19 | kPa | Joback Calculated Property |
| Inp | [1778.00; 1778.00] |
|
|
| Inp | 1778.00 | NIST | |
| Inp | 1778.00 | NIST | |
| Tboil | 680.84 | K | Joback Calculated Property |
| Tc | 908.18 | K | Joback Calculated Property |
| Tfus | 424.63 | K | Joback Calculated Property |
| Vc | 0.709 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [419.54; 476.48] | J/mol×K | [680.84; 908.18] |
|
| Cp,gas | 419.54 | J/mol×K | 680.84 | Joback Calculated Property |
| Cp,gas | 430.91 | J/mol×K | 718.73 | Joback Calculated Property |
| Cp,gas | 441.52 | J/mol×K | 756.62 | Joback Calculated Property |
| Cp,gas | 451.37 | J/mol×K | 794.51 | Joback Calculated Property |
| Cp,gas | 460.48 | J/mol×K | 832.40 | Joback Calculated Property |
| Cp,gas | 468.84 | J/mol×K | 870.29 | Joback Calculated Property |
| Cp,gas | 476.48 | J/mol×K | 908.18 | Joback Calculated Property |
| η | [0.0001517; 0.0010158] | Pa×s | [424.63; 680.84] |
|
| η | 0.0010158 | Pa×s | 424.63 | Joback Calculated Property |
| η | 0.0006401 | Pa×s | 467.33 | Joback Calculated Property |
| η | 0.0004358 | Pa×s | 510.03 | Joback Calculated Property |
| η | 0.0003149 | Pa×s | 552.74 | Joback Calculated Property |
| η | 0.0002384 | Pa×s | 595.44 | Joback Calculated Property |
| η | 0.0001873 | Pa×s | 638.14 | Joback Calculated Property |
| η | 0.0001517 | Pa×s | 680.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isovaleric acid, 2,4,5-trichlorophenyl ester.
Sources
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