- InChI
- InChI=1S/C9H3Cl3O3/c10-7(13)4-1-5(8(11)14)3-6(2-4)9(12)15/h1-3H
- InChI Key
- UWCPYKQBIPYOLX-UHFFFAOYSA-N
- Formula
- C9H3Cl3O3
- SMILES
-
O=C(Cl)c1cc(C(=O)Cl)cc(C(=O)Cl
)c1 - Molecular Weight1
- 265.48
- CAS
- 4422-95-1
- Other Names
-
- Trimesoyl chloride
- 1,3,5-Benzenetricarboxylic acid chloride
- 1,3,5-Benzenetricarbonyl chloride
- Benzenetricarbonyl chloride
- Trimesic acid trichloride
- 1,3,5-Benzenetricarboxylic chloride
- benzene-1,3,5-tricarbonyl trichloride
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -477.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.30 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.824 | Crippen Calculated Property | |
| McVol | 155.340 | ml/mol | McGowan Calculated Property |
| Tboil | 552.77 | K | Relay (1.0) Calculated Property |
| Tfus | 399.78 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [315.36; 347.80] | J/mol×K | [715.86; 961.95] | 
|
| Cp,gas | 315.36 | J/mol×K | 715.86 | Joback Calculated Property |
| Cp,gas | 322.40 | J/mol×K | 756.87 | Joback Calculated Property |
| Cp,gas | 328.75 | J/mol×K | 797.89 | Joback Calculated Property |
| Cp,gas | 334.43 | J/mol×K | 838.90 | Joback Calculated Property |
| Cp,gas | 339.48 | J/mol×K | 879.92 | Joback Calculated Property |
| Cp,gas | 343.93 | J/mol×K | 920.93 | Joback Calculated Property |
| Cp,gas | 347.80 | J/mol×K | 961.95 | Joback Calculated Property |
| η | [0.0002714; 0.0013241] | Pa×s | [482.20; 715.86] |
|
| η | 0.0013241 | Pa×s | 482.20 | Joback Calculated Property |
| η | 0.0009212 | Pa×s | 521.14 | Joback Calculated Property |
| η | 0.0006741 | Pa×s | 560.09 | Joback Calculated Property |
| η | 0.0005137 | Pa×s | 599.03 | Joback Calculated Property |
| η | 0.0004046 | Pa×s | 637.97 | Joback Calculated Property |
| η | 0.0003276 | Pa×s | 676.92 | Joback Calculated Property |
| η | 0.0002714 | Pa×s | 715.86 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 459.00 ± 1.00 | K | 1.90 | NIST |
Similar Compounds
Find more compounds similar to 1,3,5-Benzenetricarbonyl trichloride.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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