Chemical Properties of 6-Methoxy-m-toluenesulfonyl chloride (CAS 88040-86-2)

InChI

InChI=1S/C8H9ClO3S/c1-6-3-4-7(12-2)8(5-6)13(9,10)11/h3-5H,1-2H3

InChI Key

BJYNYQGJTZULJI-UHFFFAOYSA-N

Formula

C8H9ClO3S

SMILES

COc1ccc(C)cc1S(=O)(=O)Cl

Molecular Weight¹

220.67

CAS

88040-86-2

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[197.86; 403.45]	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			6.19400e+01
Coefficient B			5.43130e-01
Coefficient C			-1.52320e-04
Coefficient D			-4.93000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	197.86	J/mol×K	273.00	Calculated Property
Cp,gas	232.84	J/mol×K	353.78	Calculated Property
Cp,gas	265.15	J/mol×K	434.56	Calculated Property
Cp,gas	294.63	J/mol×K	515.33	Calculated Property
Cp,gas	321.14	J/mol×K	596.11	Calculated Property
Cp,gas	344.50	J/mol×K	676.89	Calculated Property
Cp,gas	364.57	J/mol×K	757.67	Calculated Property
Cp,gas	381.19	J/mol×K	838.44	Calculated Property
Cp,gas	394.20	J/mol×K	919.22	Calculated Property
Cp,gas	403.45	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 6-Methoxy-m-toluenesulfonyl chloride.

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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