Chemical Properties of Sulfone, tert-butyl 2-chloroethyl

InChI

InChI=1S/C6H13ClO2S/c1-6(2,3)10(8,9)5-4-7/h4-5H2,1-3H3

InChI Key

ZCOVKORAIYPATP-UHFFFAOYSA-N

Formula

C6H13ClO2S

SMILES

CC(C)(C)S(=O)(=O)CCCl

Molecular Weight¹

184.69

• 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	[190.72; 407.84]	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			1.90920e+01
Coefficient B			7.40050e-01
Coefficient C			-4.29200e-04
Coefficient D			7.79000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	190.72	J/mol×K	273.00	Calculated Property
Cp,gas	230.64	J/mol×K	353.78	Calculated Property
Cp,gas	266.03	J/mol×K	434.56	Calculated Property
Cp,gas	297.14	J/mol×K	515.33	Calculated Property
Cp,gas	324.23	J/mol×K	596.11	Calculated Property
Cp,gas	347.53	J/mol×K	676.89	Calculated Property
Cp,gas	367.30	J/mol×K	757.67	Calculated Property
Cp,gas	383.78	J/mol×K	838.44	Calculated Property
Cp,gas	397.21	J/mol×K	919.22	Calculated Property
Cp,gas	407.84	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Sulfone, tert-butyl 2-chloroethyl.

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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