Chemical Properties of Carbonic acid, 2,2,2-trichloroethyl 3,4-dichlorophenyl ester

InChI

InChI=1S/C9H5Cl5O3/c10-6-2-1-5(3-7(6)11)17-8(15)16-4-9(12,13)14/h1-3H,4H2

InChI Key

ZLYNSNLAIUXXFY-UHFFFAOYSA-N

Formula

C9H5Cl5O3

SMILES

O=C(OCC(Cl)(Cl)Cl)Oc1ccc(Cl)c(Cl)c1

Molecular Weight¹

338.40

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	31.46	kJ/mol	Joback Calculated Property
log10WS	-5.90		Relay (1.0) Calculated Property
logPoct/wat	4.879		Crippen Calculated Property
McVol	188.420	ml/mol	McGowan Calculated Property
Inp	[2006.00; 2006.00]
Inp	2006.00		NIST
Inp	2006.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[241.56; 428.47]	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			8.02910e+01
Coefficient B			7.02700e-01
Coefficient C			-4.31120e-04
Coefficient D			7.66000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	241.56	J/mol×K	273.00	Calculated Property
Cp,gas	278.32	J/mol×K	353.78	Calculated Property
Cp,gas	310.53	J/mol×K	434.56	Calculated Property
Cp,gas	338.41	J/mol×K	515.33	Calculated Property
Cp,gas	362.21	J/mol×K	596.11	Calculated Property
Cp,gas	382.17	J/mol×K	676.89	Calculated Property
Cp,gas	398.53	J/mol×K	757.67	Calculated Property
Cp,gas	411.54	J/mol×K	838.44	Calculated Property
Cp,gas	421.44	J/mol×K	919.22	Calculated Property
Cp,gas	428.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007561; 0.0001221]	Pa×s	[459.23; 665.98]	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			-1.30618e+01
Coefficient B			2.69773e+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.			459.23
Temperature range, max.			665.98
η	0.0007561	Pa×s	459.23	Calculated Property
η	0.0005715	Pa×s	482.20	Calculated Property
η	0.0004432	Pa×s	505.17	Calculated Property
η	0.0003513	Pa×s	528.15	Calculated Property
η	0.0002839	Pa×s	551.12	Calculated Property
η	0.0002334	Pa×s	574.09	Calculated Property
η	0.0001948	Pa×s	597.06	Calculated Property
η	0.0001648	Pa×s	620.03	Calculated Property
η	0.0001411	Pa×s	643.01	Calculated Property
η	0.0001221	Pa×s	665.98	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, 2,2,2-trichloroethyl 3,4-dichlorophenyl ester.

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

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.
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