Chemical Properties of Sulfurous acid, dimethyl ester (CAS 616-42-2)

InChI

InChI=1S/C2H6O3S/c1-4-6(3)5-2/h1-2H3

InChI Key

BDUPRNVPXOHWIL-UHFFFAOYSA-N

Formula

C2H6O3S

SMILES

COS(=O)OC

Molecular Weight¹

110.13

CAS

616-42-2

Other Names

• (CH3O)2SO
• Dimethoxy sulfoxide
• Dimethyl ester of sulfurous acid
• Dimethyl sulfite
• Dimethyl sulphite
• Methyl sulfite
• Sulphurous acid dimethyl ester

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• 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
ΔcH°liquid	-1723.20 ± 0.96	kJ/mol	NIST
ΔfG°	-461.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-483.00 ± 2.00	kJ/mol	NIST
ΔfH°liquid	-523.30 ± 1.00	kJ/mol	NIST
ΔfusH°	11.07	kJ/mol	Joback Calculated Property
ΔvapH°	40.00 ± 2.00	kJ/mol	NIST
IE	[9.90; 10.25]	eV
IE	9.90	eV	NIST
IE	10.25	eV	NIST
IE	10.25	eV	NIST
log10WS	0.55		Crippen Calculated Property
logPoct/wat	-0.142		Crippen Calculated Property
McVol	73.000	ml/mol	McGowan Calculated Property
Pc	5422.51	kPa	Joback Calculated Property
Tboil	348.28	K	Joback Calculated Property
Tc	526.76	K	Joback Calculated Property
Tfus	193.24	K	Joback Calculated Property
Vc	0.274	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[123.87; 153.26]	J/mol×K	[348.28; 526.76]
Cp,gas	123.87	J/mol×K	348.28	Joback Calculated Property
Cp,gas	128.72	J/mol×K	378.03	Joback Calculated Property
Cp,gas	133.62	J/mol×K	407.77	Joback Calculated Property
Cp,gas	138.54	J/mol×K	437.52	Joback Calculated Property
Cp,gas	143.47	J/mol×K	467.27	Joback Calculated Property
Cp,gas	148.39	J/mol×K	497.01	Joback Calculated Property
Cp,gas	153.26	J/mol×K	526.76	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 203.46]	kPa	[278.32; 431.59]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.27360e+01
Coefficient B			-2.81590e+03
Coefficient C			-5.21140e+01
Temperature range, min.			278.32
Temperature range, max.			431.59
Pvap	1.33	kPa	278.32	Calculated Property
Pvap	3.19	kPa	295.35	Calculated Property
Pvap	6.80	kPa	312.38	Calculated Property
Pvap	13.21	kPa	329.41	Calculated Property
Pvap	23.78	kPa	346.44	Calculated Property
Pvap	40.12	kPa	363.47	Calculated Property
Pvap	64.14	kPa	380.50	Calculated Property
Pvap	97.88	kPa	397.53	Calculated Property
Pvap	143.57	kPa	414.56	Calculated Property
Pvap	203.46	kPa	431.59	Calculated Property

Similar Compounds

Find more compounds similar to Sulfurous acid, dimethyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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