Chemical Properties of 1,3,5-Benzenetricarbonyl trichloride (CAS 4422-95-1)

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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

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	[0.0013241; 0.0003333]	Pa×s	[482.20; 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
Temperature range, min.			482.20
Temperature range, max.			673.55
η	0.0013241	Pa×s	482.20	Calculated Property
η	0.0010787	Pa×s	503.46	Calculated Property
η	0.0008934	Pa×s	524.72	Calculated Property
η	0.0007509	Pa×s	545.98	Calculated Property
η	0.0006394	Pa×s	567.25	Calculated Property
η	0.0005508	Pa×s	588.51	Calculated Property
η	0.0004795	Pa×s	609.77	Calculated Property
η	0.0004213	Pa×s	631.03	Calculated Property
η	0.0003733	Pa×s	652.29	Calculated Property
η	0.0003333	Pa×s	673.55	Calculated Property

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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