- 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
-
- 1,3,5-Benzenetricarbonyl chloride
- 1,3,5-Benzenetricarboxylic acid chloride
- 1,3,5-Benzenetricarboxylic chloride
- Benzenetricarbonyl chloride
- Trimesic acid trichloride
- Trimesoyl 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.
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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 | 309.30 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
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.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 459.00 ± 1.00 | K | 1.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.24; 350.91] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.01500e+01 | |||
| Coefficient B | 5.97300e-01 | |||
| Coefficient C | -3.68020e-04 | |||
| Coefficient D | 7.14800e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 187.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 218.57 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 246.08 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 270.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 290.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 308.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 322.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 334.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 343.76 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 350.91 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0199853; 0.0003333] | Pa×s | [309.30; 673.55] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.14825e+01 | |||
| Coefficient B | 2.34131e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 309.30 | |||
| Temperature range, max. | 673.55 | |||
| η | 0.0199853 | Pa×s | 309.30 | Calculated Property |
| η | 0.0083236 | Pa×s | 349.77 | Calculated Property |
| η | 0.0041574 | Pa×s | 390.25 | Calculated Property |
| η | 0.0023658 | Pa×s | 430.72 | Calculated Property |
| η | 0.0014832 | Pa×s | 471.19 | Calculated Property |
| η | 0.0010012 | Pa×s | 511.66 | Calculated Property |
| η | 0.0007159 | Pa×s | 552.14 | Calculated Property |
| η | 0.0005359 | Pa×s | 592.61 | Calculated Property |
| η | 0.0004163 | Pa×s | 633.08 | Calculated Property |
| η | 0.0003333 | Pa×s | 673.55 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5-Benzenetricarbonyl trichloride.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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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Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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