- InChI
- InChI=1S/C11H9Cl3O2/c1-6(2)3-11(15)16-10-5-8(13)7(12)4-9(10)14/h3-5H,1-2H3
- InChI Key
- RIWFJYJVQGPRGX-UHFFFAOYSA-N
- Formula
- C11H9Cl3O2
- SMILES
-
CC(C)=CC(=O)Oc1cc(Cl)c(Cl)cc1C
l - Molecular Weight1
- 279.55
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -72.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -252.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.69 | kJ/mol | Joback Calculated Property |
| log10WS | -4.95 | Crippen Calculated Property | |
| logPoct/wat | 4.518 | Crippen Calculated Property | |
| McVol | 181.950 | ml/mol | McGowan Calculated Property |
| Pc | 2510.03 | kPa | Joback Calculated Property |
| Inp | 1900.00 | NIST | |
| Tboil | 685.32 | K | Joback Calculated Property |
| Tc | 921.11 | K | Joback Calculated Property |
| Tfus | 420.59 | K | Joback Calculated Property |
| Vc | 0.696 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [395.39; 448.13] | J/mol×K | [685.32; 921.11] | 
|
| Cp,gas | 395.39 | J/mol×K | 685.32 | Joback Calculated Property |
| Cp,gas | 405.95 | J/mol×K | 724.62 | Joback Calculated Property |
| Cp,gas | 415.76 | J/mol×K | 763.92 | Joback Calculated Property |
| Cp,gas | 424.86 | J/mol×K | 803.22 | Joback Calculated Property |
| Cp,gas | 433.26 | J/mol×K | 842.51 | Joback Calculated Property |
| Cp,gas | 441.01 | J/mol×K | 881.81 | Joback Calculated Property |
| Cp,gas | 448.13 | J/mol×K | 921.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methylbut-2-enoic acid, 2,4,5-trichlorophenyl ester.
Sources
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