Chemical Properties of Ethyl 3-(trichloromethyl)benzoate

InChI

InChI=1S/C10H9Cl3O2/c1-2-15-9(14)7-4-3-5-8(6-7)10(11,12)13/h3-6H,2H2,1H3

InChI Key

OGPQSMAOYBLNQE-UHFFFAOYSA-N

Formula

C10H9Cl3O2

SMILES

CCOC(=O)c1cccc(C(Cl)(Cl)Cl)c1

Molecular Weight¹

267.54

• ω : Acentric Factor.
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[218.01; 448.06]	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			1.38010e+01
Coefficient B			9.06820e-01
Coefficient C			-6.22760e-04
Coefficient D			1.50200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	218.01	J/mol×K	273.00	Calculated Property
Cp,gas	263.32	J/mol×K	353.78	Calculated Property
Cp,gas	302.59	J/mol×K	434.56	Calculated Property
Cp,gas	336.29	J/mol×K	515.33	Calculated Property
Cp,gas	364.89	J/mol×K	596.11	Calculated Property
Cp,gas	388.86	J/mol×K	676.89	Calculated Property
Cp,gas	408.70	J/mol×K	757.67	Calculated Property
Cp,gas	424.86	J/mol×K	838.44	Calculated Property
Cp,gas	437.82	J/mol×K	919.22	Calculated Property
Cp,gas	448.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018573; 0.0001691]	Pa×s	[375.91; 605.10]	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			-1.26157e+01
Coefficient B			2.37842e+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.			375.91
Temperature range, max.			605.10
η	0.0018573	Pa×s	375.91	Calculated Property
η	0.0012432	Pa×s	401.38	Calculated Property
η	0.0008730	Pa×s	426.84	Calculated Property
η	0.0006379	Pa×s	452.31	Calculated Property
η	0.0004820	Pa×s	477.77	Calculated Property
η	0.0003746	Pa×s	503.24	Calculated Property
η	0.0002984	Pa×s	528.71	Calculated Property
η	0.0002426	Pa×s	554.17	Calculated Property
η	0.0002010	Pa×s	579.64	Calculated Property
η	0.0001691	Pa×s	605.10	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 3-(trichloromethyl)benzoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.