Chemical Properties of Methanesulfonic acid, 2-chloroethyl ester (CAS 3570-58-9)

InChI

InChI=1S/C3H7ClO3S/c1-8(5,6)7-3-2-4/h2-3H2,1H3

InChI Key

FMMYTRQXHORTCU-UHFFFAOYSA-N

Formula

C3H7ClO3S

SMILES

CS(=O)(=O)OCCCl

Molecular Weight¹

158.60

CAS

3570-58-9

Other Names

• 2-chloroethyl methanesulphonate

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[143.95; 270.10]	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			7.17920e+01
Coefficient B			2.66010e-01
Coefficient C			1.68000e-05
Coefficient D			-8.45000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	143.95	J/mol×K	273.00	Calculated Property
Cp,gas	164.26	J/mol×K	353.78	Calculated Property
Cp,gas	183.63	J/mol×K	434.56	Calculated Property
Cp,gas	201.77	J/mol×K	515.33	Calculated Property
Cp,gas	218.43	J/mol×K	596.11	Calculated Property
Cp,gas	233.34	J/mol×K	676.89	Calculated Property
Cp,gas	246.23	J/mol×K	757.67	Calculated Property
Cp,gas	256.83	J/mol×K	838.44	Calculated Property
Cp,gas	264.88	J/mol×K	919.22	Calculated Property
Cp,gas	270.10	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Methanesulfonic acid, 2-chloroethyl 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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