Chemical Properties of Methylsulfonic acid, 2,2,2-trichloroethyl ester

InChI

InChI=1S/C3H5Cl3O3S/c1-10(7,8)9-2-3(4,5)6/h2H2,1H3

InChI Key

WSOBLQNNNMEZAF-UHFFFAOYSA-N

Formula

C3H5Cl3O3S

SMILES

CS(=O)(=O)OCC(Cl)(Cl)Cl

Molecular Weight¹

227.49

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	21.27	kJ/mol	Joback Calculated Property
log10WS	-2.48		Relay (1.0) Calculated Property
logPoct/wat	1.333		Crippen Calculated Property
McVol	123.810	ml/mol	McGowan Calculated Property
Inp	[1280.00; 1280.00]
Inp	1280.00		NIST
Inp	1280.00		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	[169.30; 288.11]	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			7.31010e+01
Coefficient B			4.05410e-01
Coefficient C			-1.95800e-04
Coefficient D			5.40000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	169.30	J/mol×K	273.00	Calculated Property
Cp,gas	192.26	J/mol×K	353.78	Calculated Property
Cp,gas	212.74	J/mol×K	434.56	Calculated Property
Cp,gas	230.76	J/mol×K	515.33	Calculated Property
Cp,gas	246.34	J/mol×K	596.11	Calculated Property
Cp,gas	259.48	J/mol×K	676.89	Calculated Property
Cp,gas	270.21	J/mol×K	757.67	Calculated Property
Cp,gas	278.55	J/mol×K	838.44	Calculated Property
Cp,gas	284.51	J/mol×K	919.22	Calculated Property
Cp,gas	288.11	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Methylsulfonic acid, 2,2,2-trichloroethyl 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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