- InChI
- InChI=1S/C10H9Cl3O2/c1-7-2-4-8(5-3-7)9(14)15-6-10(11,12)13/h2-5H,6H2,1H3
- InChI Key
- NSEMXPHSOPXKLU-UHFFFAOYSA-N
- Formula
- C10H9Cl3O2
- SMILES
- Cc1ccc(C(=O)OCC(Cl)(Cl)Cl)cc1
- Molecular Weight1
- 267.54
- 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° | -130.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -325.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.81 | kJ/mol | Joback Calculated Property |
| log10WS | -4.17 | Crippen Calculated Property | |
| logPoct/wat | 3.522 | Crippen Calculated Property | |
| McVol | 172.160 | ml/mol | McGowan Calculated Property |
| Pc | 2746.90 | kPa | Joback Calculated Property |
| Inp | [1731.00; 1731.00] |
|
|
| Inp | 1731.00 | NIST | |
| Inp | 1731.00 | NIST | |
| Tboil | 645.21 | K | Joback Calculated Property |
| Tc | 884.19 | K | Joback Calculated Property |
| Tfus | 405.74 | K | Joback Calculated Property |
| Vc | 0.647 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [376.75; 430.61] | J/mol×K | [645.21; 884.19] |
|
| Cp,gas | 376.75 | J/mol×K | 645.21 | Joback Calculated Property |
| Cp,gas | 387.87 | J/mol×K | 685.04 | Joback Calculated Property |
| Cp,gas | 398.05 | J/mol×K | 724.87 | Joback Calculated Property |
| Cp,gas | 407.37 | J/mol×K | 764.70 | Joback Calculated Property |
| Cp,gas | 415.86 | J/mol×K | 804.53 | Joback Calculated Property |
| Cp,gas | 423.59 | J/mol×K | 844.36 | Joback Calculated Property |
| Cp,gas | 430.61 | J/mol×K | 884.19 | Joback Calculated Property |
| η | [0.0001612; 0.0013925] | Pa×s | [405.74; 645.21] |
|
| η | 0.0013925 | Pa×s | 405.74 | Joback Calculated Property |
| η | 0.0008277 | Pa×s | 445.65 | Joback Calculated Property |
| η | 0.0005359 | Pa×s | 485.56 | Joback Calculated Property |
| η | 0.0003706 | Pa×s | 525.48 | Joback Calculated Property |
| η | 0.0002700 | Pa×s | 565.39 | Joback Calculated Property |
| η | 0.0002051 | Pa×s | 605.30 | Joback Calculated Property |
| η | 0.0001612 | Pa×s | 645.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methylbenzoic acid, 2,2,2-trichloroethyl ester.
Sources
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