Chemical Properties of Ethanol, 2-chloro-, 4-methylbenzenesulfonate

InChI

InChI=1S/C9H11ClO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,6-7H2,1H3

InChI Key

ZXNMIUJDTOMBPV-UHFFFAOYSA-N

Formula

C9H11ClO3S

SMILES

Cc1ccc(S(=O)(=O)OCCCl)cc1

Molecular Weight¹

234.70

Other Names

• Ethanol, 2-chloro-, p-toluenesulfonate
• «beta»-Chloroethyl p-toluenesulfonate
• p-Toluenesulfonic acid, 2-chloroethyl ester
• 2-(p-Toluenesulfonyloxy)ethyl chloride
• 2-Chloroethanol p-toluenesulfonate
• 2-Chloroethyl p-toluenesulfonate
• 2-Chloroethyl p-tosylate
• 2-Chloroethyl tosylate
• 2-Chloroethyl para-toluenesulfonate
• «beta»-Chloroethylester kyseliny p-toluensulfonove
• p-Toluenesulfonic acid, «beta»-chloroethyl ester
• 2-Chlorethylester kyseliny p-toluensulfonove
• 2-Tosyloxyethyl chloride
• Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate)
• NSC 6079
• 2-chloroethyl toluene-4-sulphonate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[216.52; 458.08]	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			4.67320e+01
Coefficient B			6.97610e-01
Coefficient C			-2.73760e-04
Coefficient D			-1.25000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	216.52	J/mol×K	273.00	Calculated Property
Cp,gas	258.71	J/mol×K	353.78	Calculated Property
Cp,gas	297.16	J/mol×K	434.56	Calculated Property
Cp,gas	331.82	J/mol×K	515.33	Calculated Property
Cp,gas	362.66	J/mol×K	596.11	Calculated Property
Cp,gas	389.63	J/mol×K	676.89	Calculated Property
Cp,gas	412.70	J/mol×K	757.67	Calculated Property
Cp,gas	431.82	J/mol×K	838.44	Calculated Property
Cp,gas	446.96	J/mol×K	919.22	Calculated Property
Cp,gas	458.08	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethanol, 2-chloro-, 4-methylbenzenesulfonate.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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