Chemical Properties of Dimethyl sulfone (CAS 67-71-0)

InChI

InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3

InChI Key

HHVIBTZHLRERCL-UHFFFAOYSA-N

Formula

C2H6O2S

SMILES

CS(C)(=O)=O

Molecular Weight¹

94.13

CAS

67-71-0

Other Names

• DMSO2
• Dimethyl sulphone
• MSM
• Methane, 1,1'-sulfonylbis-
• Methane, sulfonylbis-
• Methyl sulfone
• Methylsulfonylmethane
• NSC 63345
• Sulfone, dimethyl-
• Sulfonylbismethane
• Sulphonylbismethane

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-1796.70 ± 0.50	kJ/mol	NIST
ΔfG°	-502.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-373.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-446.40	kJ/mol	NIST
ΔfH°solid	-449.82 ± 0.59	kJ/mol	NIST
ΔfusH°	12.31	kJ/mol	Joback Calculated Property
ΔsubH°	77.00 ± 3.00	kJ/mol	NIST
ΔvapH°	38.68	kJ/mol	Joback Calculated Property
IE	[10.65; 10.97]	eV
IE	10.65	eV	NIST
IE	10.80	eV	NIST
IE	10.65	eV	NIST
IE	10.97	eV	NIST
log10WS	0.51		Crippen Calculated Property
logPoct/wat	-0.339		Crippen Calculated Property
McVol	67.130	ml/mol	McGowan Calculated Property
Pc	6349.11	kPa	Joback Calculated Property
Inp	[909.00; 931.00]
Inp	919.00		NIST
Inp	915.00		NIST
Inp	926.00		NIST
Inp	925.00		NIST
Inp	926.00		NIST
Inp	924.00		NIST
Inp	921.60		NIST
Inp	914.90		NIST
Inp	912.00		NIST
Inp	916.00		NIST
Inp	911.00		NIST
Inp	924.00		NIST
Inp	915.00		NIST
Inp	926.00		NIST
Inp	924.00		NIST
Inp	931.00		NIST
Inp	925.00		NIST
Inp	909.00		NIST
Inp	918.00		NIST
Inp	919.00		NIST
Inp	924.00		NIST
I	[1881.40; 1914.00]
I	1900.00		NIST
I	1913.00		NIST
I	1881.40		NIST
I	1912.00		NIST
I	1895.00		NIST
I	1912.00		NIST
I	1908.00		NIST
I	1906.00		NIST
I	1914.00		NIST
I	1911.00		NIST
I	1895.00		NIST
I	1887.00		NIST
I	1890.00		NIST
I	1887.00		NIST
S°solid,1 bar	145.48	J/mol×K	NIST
Tboil	511.00 ± 3.00	K	NIST
Tc	453.77	K	Joback Calculated Property
Tfus	150.86	K	Joback Calculated Property
Ttriple	[382.00; 382.01]	K
Ttriple	382.00 ± 0.06	K	NIST
Ttriple	382.01 ± 0.04	K	NIST
Vc	0.274	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[98.00; 128.79]	J/mol×K	[292.94; 453.77]
Cp,gas	98.00	J/mol×K	292.94	Joback Calculated Property
Cp,gas	103.39	J/mol×K	319.74	Joback Calculated Property
Cp,gas	108.69	J/mol×K	346.55	Joback Calculated Property
Cp,gas	113.88	J/mol×K	373.35	Joback Calculated Property
Cp,gas	118.97	J/mol×K	400.16	Joback Calculated Property
Cp,gas	123.94	J/mol×K	426.96	Joback Calculated Property
Cp,gas	128.79	J/mol×K	453.77	Joback Calculated Property
Cp,solid	125.35	J/mol×K	298.15	NIST
ΔfusH	[18.28; 18.30]	kJ/mol	[382.00; 382.01]
ΔfusH	18.28	kJ/mol	382.00	NIST
ΔfusH	18.30	kJ/mol	382.01	NIST
ΔvapH	56.00	kJ/mol	455.00	NIST
ΔfusS	47.91	J/mol×K	382.01	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.22; 203.51]	kPa	[382.05; 542.24]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.48648e+01
Coefficient B			-4.38294e+03
Coefficient C			-8.32500e+01
Temperature range, min.			382.05
Temperature range, max.			542.24
Pvap	1.22	kPa	382.05	Calculated Property
Pvap	2.78	kPa	399.85	Calculated Property
Pvap	5.80	kPa	417.65	Calculated Property
Pvap	11.25	kPa	435.45	Calculated Property
Pvap	20.47	kPa	453.25	Calculated Property
Pvap	35.25	kPa	471.04	Calculated Property
Pvap	57.89	kPa	488.84	Calculated Property
Pvap	91.18	kPa	506.64	Calculated Property
Pvap	138.45	kPa	524.44	Calculated Property
Pvap	203.51	kPa	542.24	Calculated Property

Similar Compounds

Find more compounds similar to Dimethyl sulfone.

Sources

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

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