Chemical Properties of Salicylic acid, 2,2,2-trichloroethyl carbonate (CAS 20704-99-8)

InChI

InChI=1S/C10H7Cl3O5/c11-10(12,13)5-17-9(16)18-7-4-2-1-3-6(7)8(14)15/h1-4H,5H2,(H,14,15)

InChI Key

CMBKWDKPZGGVDA-UHFFFAOYSA-N

Formula

C10H7Cl3O5

SMILES

O=C(OCC(Cl)(Cl)Cl)Oc1ccccc1C(=O)O

Molecular Weight¹

313.52

CAS

20704-99-8

• 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).
• 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, 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	[247.03; 477.34]	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			4.39010e+01
Coefficient B			8.94400e-01
Coefficient C			-5.84360e-04
Coefficient D			1.23400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	247.03	J/mol×K	273.00	Calculated Property
Cp,gas	292.65	J/mol×K	353.78	Calculated Property
Cp,gas	332.34	J/mol×K	434.56	Calculated Property
Cp,gas	366.52	J/mol×K	515.33	Calculated Property
Cp,gas	395.55	J/mol×K	596.11	Calculated Property
Cp,gas	419.84	J/mol×K	676.89	Calculated Property
Cp,gas	439.77	J/mol×K	757.67	Calculated Property
Cp,gas	455.74	J/mol×K	838.44	Calculated Property
Cp,gas	468.13	J/mol×K	919.22	Calculated Property
Cp,gas	477.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003895; 0.0001021]	Pa×s	[558.74; 724.47]	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			-1.37021e+01
Coefficient B			3.26945e+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.			558.74
Temperature range, max.			724.47
η	0.0003895	Pa×s	558.74	Calculated Property
η	0.0003232	Pa×s	577.15	Calculated Property
η	0.0002712	Pa×s	595.57	Calculated Property
η	0.0002301	Pa×s	613.98	Calculated Property
η	0.0001970	Pa×s	632.40	Calculated Property
η	0.0001702	Pa×s	650.81	Calculated Property
η	0.0001482	Pa×s	669.23	Calculated Property
η	0.0001301	Pa×s	687.64	Calculated Property
η	0.0001149	Pa×s	706.06	Calculated Property
η	0.0001021	Pa×s	724.47	Calculated Property

Similar Compounds

Find more compounds similar to Salicylic acid, 2,2,2-trichloroethyl carbonate.

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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