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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[447.68; 480.44]	J/mol×K	[795.27; 1034.96]
Cp,gas	447.68	J/mol×K	795.27	Joback Calculated Property
Cp,gas	455.17	J/mol×K	835.22	Joback Calculated Property
Cp,gas	461.79	J/mol×K	875.17	Joback Calculated Property
Cp,gas	467.58	J/mol×K	915.12	Joback Calculated Property
Cp,gas	472.59	J/mol×K	955.06	Joback Calculated Property
Cp,gas	476.86	J/mol×K	995.01	Joback Calculated Property
Cp,gas	480.44	J/mol×K	1034.96	Joback Calculated Property
η	[0.0000683; 0.0003895]	Pa×s	[558.74; 795.27]
η	0.0003895	Pa×s	558.74	Joback Calculated Property
η	0.0002649	Pa×s	598.16	Joback Calculated Property
η	0.0001889	Pa×s	637.58	Joback Calculated Property
η	0.0001401	Pa×s	677.00	Joback Calculated Property
η	0.0001074	Pa×s	716.43	Joback Calculated Property
η	0.0000847	Pa×s	755.85	Joback Calculated Property
η	0.0000683	Pa×s	795.27	Joback 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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