Chemical Properties of Methylsulfonic acid, 2,3,4,6-tetrachlorophenyl ester

InChI

InChI=1S/C7H4Cl4O3S/c1-15(12,13)14-7-4(9)2-3(8)5(10)6(7)11/h2H,1H3

InChI Key

IQBRQZOCZKMQJS-UHFFFAOYSA-N

Formula

C7H4Cl4O3S

SMILES

CS(=O)(=O)Oc1c(Cl)cc(Cl)c(Cl)c1Cl

Molecular Weight¹

309.98

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-539.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-645.69	kJ/mol	Joback Calculated Property
ΔfusH°	35.72	kJ/mol	Joback Calculated Property
ΔvapH°	74.69	kJ/mol	Joback Calculated Property
log10WS	-4.16		Crippen Calculated Property
logPoct/wat	3.639		Crippen Calculated Property
McVol	168.650	ml/mol	McGowan Calculated Property
Pc	3768.41	kPa	Joback Calculated Property
Inp	[2045.00; 2045.00]
Inp	2045.00		NIST
Inp	2045.00		NIST
Tboil	626.08	K	Joback Calculated Property
Tc	854.07	K	Joback Calculated Property
Tfus	425.62	K	Joback Calculated Property
Vc	0.659	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[318.51; 358.03]	J/mol×K	[626.08; 854.07]
Cp,gas	318.51	J/mol×K	626.08	Joback Calculated Property
Cp,gas	326.58	J/mol×K	664.08	Joback Calculated Property
Cp,gas	334.09	J/mol×K	702.08	Joback Calculated Property
Cp,gas	341.02	J/mol×K	740.08	Joback Calculated Property
Cp,gas	347.34	J/mol×K	778.07	Joback Calculated Property
Cp,gas	353.02	J/mol×K	816.07	Joback Calculated Property
Cp,gas	358.03	J/mol×K	854.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methylsulfonic acid, 2,3,4,6-tetrachlorophenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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