Chemical Properties of CARBONIC ACID, T-BUTYL ESTER 2,4,5-TRICHLOROPHENYL ESTER

InChI

InChI=1S/C11H11Cl3O3/c1-11(2,3)17-10(15)16-9-5-7(13)6(12)4-8(9)14/h4-5H,1-3H3

InChI Key

LJFPGBIHDPZHIN-UHFFFAOYSA-N

Formula

C11H11Cl3O3

SMILES

CC(C)(C)OC(=O)Oc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

297.56

Other Names

• t-Butyl 2,4,5-trichlorophenyl carbonate
• Carbonic acid, 1,1-dimethylethyl 2,4,5-trichlorophenyl ester

• 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).
• Δ_vapH° : Enthalpy of vaporization 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[259.72; 512.07]	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			6.69900e+01
Coefficient B			8.19660e-01
Coefficient C			-4.32080e-04
Coefficient D			5.75000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	259.72	J/mol×K	273.00	Calculated Property
Cp,gas	305.43	J/mol×K	353.78	Calculated Property
Cp,gas	346.30	J/mol×K	434.56	Calculated Property
Cp,gas	382.51	J/mol×K	515.33	Calculated Property
Cp,gas	414.24	J/mol×K	596.11	Calculated Property
Cp,gas	441.67	J/mol×K	676.89	Calculated Property
Cp,gas	464.99	J/mol×K	757.67	Calculated Property
Cp,gas	484.37	J/mol×K	838.44	Calculated Property
Cp,gas	500.01	J/mol×K	919.22	Calculated Property
Cp,gas	512.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007693; 0.0001224]	Pa×s	[434.45; 639.33]	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			-1.29064e+01
Coefficient B			2.49215e+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.			434.45
Temperature range, max.			639.33
η	0.0007693	Pa×s	434.45	Calculated Property
η	0.0005782	Pa×s	457.21	Calculated Property
η	0.0004465	Pa×s	479.98	Calculated Property
η	0.0003529	Pa×s	502.74	Calculated Property
η	0.0002847	Pa×s	525.51	Calculated Property
η	0.0002338	Pa×s	548.27	Calculated Property
η	0.0001951	Pa×s	571.04	Calculated Property
η	0.0001650	Pa×s	593.80	Calculated Property
η	0.0001413	Pa×s	616.57	Calculated Property
η	0.0001224	Pa×s	639.33	Calculated Property

Similar Compounds

Find more compounds similar to CARBONIC ACID, T-BUTYL ESTER 2,4,5-TRICHLOROPHENYL 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

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