Chemical Properties of Dimethyl sulfide (CAS 75-18-3)

InChI

InChI=1S/C2H6S/c1-3-2/h1-2H3

InChI Key

QMMFVYPAHWMCMS-UHFFFAOYSA-N

Formula

C2H6S

SMILES

CSC

Molecular Weight¹

62.13

CAS

75-18-3

Other Names

• (CH3)2S
• 2-Thiapropane
• 2-Thiopropane
• DMS
• Dimethyl monosulfide
• Dimethyl sulphide
• Dimethyl thioether
• Dimethylsulfid
• Exact-S
• Methane, 1,1'-thiobis-
• Methane, thiobis-
• Methyl monosulfide
• Methyl sulfide
• Methyl sulphide
• Methyl thioether
• Methylthiomethane
• Sulfide, methyl-
• Sulfure de methyle
• Thiobismethane
• UN 1164

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• 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_fusH : Enthalpy of fusion at a given temperature (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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• γ : Surface Tension (N/m).
• 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).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.1910		KDB
PAff	830.90	kJ/mol	NIST
BasG	801.20	kJ/mol	NIST
ΔcH°liquid	-2181.50 ± 0.30	kJ/mol	NIST
μ	1.50	debye	KDB
ΔfG°	6.95	kJ/mol	KDB
ΔfH°gas	[-37.60; -32.40]	kJ/mol
ΔfH°gas	-37.56	kJ/mol	KDB
ΔfH°gas	-37.50 ± 2.00	kJ/mol	NIST
ΔfH°gas	-37.60 ± 0.59	kJ/mol	NIST
ΔfH°gas	-32.40	kJ/mol	NIST
ΔfH°liquid	[-65.44; -60.20]	kJ/mol
ΔfH°liquid	-65.40 ± 1.50	kJ/mol	NIST
ΔfH°liquid	-65.44 ± 0.59	kJ/mol	NIST
ΔfH°liquid	-60.20	kJ/mol	NIST
ΔfusH°	5.07	kJ/mol	Joback Calculated Property
ΔvapH°	[27.50; 27.99]	kJ/mol
ΔvapH°	27.99	kJ/mol	NIST
ΔvapH°	27.90 ± 0.60	kJ/mol	NIST
ΔvapH°	27.90 ± 0.60	kJ/mol	NIST
ΔvapH°	27.90	kJ/mol	NIST
ΔvapH°	Outlier 27.50	kJ/mol	NIST
ΔvapH°	27.70	kJ/mol	NIST
ΔvapH°	27.80 ± 0.04	kJ/mol	NIST
ΔvapH°	27.80	kJ/mol	NIST
IE	[8.50; 8.72]	eV
IE	8.69 ± 0.02	eV	NIST
IE	8.60	eV	NIST
IE	8.72	eV	NIST
IE	Outlier 8.50 ± 0.10	eV	NIST
IE	8.60	eV	NIST
IE	8.69	eV	NIST
IE	8.71 ± 0.01	eV	NIST
IE	8.67	eV	NIST
IE	8.57 ± 0.04	eV	NIST
IE	8.70	eV	NIST
IE	8.69 ± 0.01	eV	NIST
IE	8.68 ± 0.03	eV	NIST
IE	8.70 ± 0.10	eV	NIST
IE	8.69 ± 0.01	eV	NIST
IE	8.67	eV	NIST
IE	8.70	eV	NIST
IE	8.70	eV	NIST
IE	8.71	eV	NIST
IE	8.71	eV	NIST
IE	8.67	eV	NIST
IE	8.65	eV	NIST
IE	8.65	eV	NIST
IE	8.71	eV	NIST
IE	8.67	eV	NIST
log10WS	[-0.45; -0.45]
log10WS	-0.45		Aq. Solubility Prediction
log10WS	-0.45		Estimated Solubility
logPoct/wat	0.979		Crippen Calculated Property
McVol	55.390	ml/mol	McGowan Calculated Property
NFPA Fire	4		KDB
NFPA Health	4		KDB
Pc	[5530.00; 5530.00]	kPa
Pc	5530.00	kPa	KDB
Pc	5530.00 ± 40.53	kPa	NIST
ρc	[300.73; 308.93]	kg/m3
ρc	308.93 ± 1.86	kg/m3	NIST
ρc	300.73 ± 1.86	kg/m3	NIST
Inp	[493.00; 565.00]
Inp	533.70		NIST
Inp	543.60		NIST
Inp	532.00		NIST
Inp	530.20		NIST
Inp	528.00		NIST
Inp	508.00		NIST
Inp	523.00		NIST
Inp	522.00		NIST
Inp	520.00		NIST
Inp	500.00		NIST
Inp	497.00		NIST
Inp	500.00		NIST
Inp	497.00		NIST
Inp	520.00		NIST
Inp	532.00		NIST
Inp	516.00		NIST
Inp	515.00		NIST
Inp	516.00		NIST
Inp	523.00		NIST
Inp	528.00		NIST
Inp	Outlier 550.00		NIST
Inp	526.00		NIST
Inp	500.00		NIST
Inp	505.00		NIST
Inp	513.00		NIST
Inp	515.00		NIST
Inp	517.00		NIST
Inp	526.00		NIST
Inp	516.00		NIST
Inp	515.00		NIST
Inp	500.00		NIST
Inp	509.00		NIST
Inp	511.00		NIST
Inp	Outlier 550.00		NIST
Inp	521.00		NIST
Inp	514.00		NIST
Inp	532.00		NIST
Inp	518.00		NIST
Inp	505.00		NIST
Inp	505.00		NIST
Inp	506.00		NIST
Inp	495.00		NIST
Inp	523.00		NIST
Inp	523.00		NIST
Inp	516.00		NIST
Inp	538.00		NIST
Inp	500.00		NIST
Inp	505.00		NIST
Inp	525.00		NIST
Inp	527.00		NIST
Inp	508.00		NIST
Inp	522.00		NIST
Inp	527.00		NIST
Inp	508.00		NIST
Inp	508.00		NIST
Inp	514.00		NIST
Inp	529.00		NIST
Inp	515.00		NIST
Inp	526.00		NIST
Inp	534.00		NIST
Inp	Outlier 565.00		NIST
Inp	507.00		NIST
Inp	521.00		NIST
Inp	517.00		NIST
Inp	517.00		NIST
Inp	523.00		NIST
Inp	Outlier 550.00		NIST
Inp	543.00		NIST
Inp	528.00		NIST
Inp	521.00		NIST
Inp	521.00		NIST
Inp	503.00		NIST
Inp	508.00		NIST
Inp	503.00		NIST
Inp	506.00		NIST
Inp	506.00		NIST
Inp	508.00		NIST
Inp	527.00		NIST
Inp	512.00		NIST
Inp	493.00		NIST
Inp	526.00		NIST
Inp	513.00		NIST
Inp	515.00		NIST
I	[715.00; 793.00]
I	774.00		NIST
I	777.00		NIST
I	777.00		NIST
I	769.00		NIST
I	760.00		NIST
I	760.00		NIST
I	716.00		NIST
I	720.00		NIST
I	729.00		NIST
I	725.00		NIST
I	757.00		NIST
I	754.00		NIST
I	757.00		NIST
I	757.00		NIST
I	745.00		NIST
I	715.00		NIST
I	763.00		NIST
I	737.00		NIST
I	751.00		NIST
I	773.00		NIST
I	773.00		NIST
I	733.00		NIST
I	755.00		NIST
I	755.00		NIST
I	757.00		NIST
I	772.00		NIST
I	751.00		NIST
I	753.00		NIST
I	748.00		NIST
I	746.00		NIST
I	754.00		NIST
I	745.00		NIST
I	748.00		NIST
I	716.00		NIST
I	746.00		NIST
I	740.00		NIST
I	753.00		NIST
I	740.00		NIST
I	757.00		NIST
I	Outlier 793.00		NIST
I	716.00		NIST
I	757.00		NIST
I	755.00		NIST
I	753.00		NIST
I	748.00		NIST
I	774.00		NIST
I	777.00		NIST
I	720.00		NIST
Tboil	[310.48; 316.20]	K
Tboil	310.48	K	KDB
Tboil	310.50	K	NIST
Tboil	310.50	K	NIST
Tboil	310.60 ± 0.30	K	NIST
Tboil	311.20 ± 2.00	K	NIST
Tboil	310.50 ± 0.30	K	NIST
Tboil	310.60 ± 0.50	K	NIST
Tboil	Outlier 316.20 ± 0.60	K	NIST
Tboil	310.50 ± 0.50	K	NIST
Tboil	310.55 ± 0.30	K	NIST
Tc	[503.00; 503.00]	K
Tc	503.00	K	KDB
Tc	503.00	K	NIST
Tc	503.00 ± 0.40	K	NIST
Tc	503.00 ± 0.40	K	NIST
Tfus	[174.80; 178.82]	K
Tfus	178.82	K	Aq. Solubility Prediction
Tfus	174.80	K	KDB
Tfus	174.88 ± 0.06	K	NIST
Tfus	174.90 ± 0.10	K	NIST
Ttriple	174.85 ± 0.03	K	NIST
Vc	0.201	m3/kmol	KDB
Zc	0.2657760		KDB
Zra	0.27		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[74.88; 102.43]	J/mol×K	[313.94; 505.47]
Cp,gas	74.88	J/mol×K	313.94	Joback Calculated Property
Cp,gas	79.79	J/mol×K	345.86	Joback Calculated Property
Cp,gas	84.58	J/mol×K	377.78	Joback Calculated Property
Cp,gas	89.24	J/mol×K	409.70	Joback Calculated Property
Cp,gas	93.77	J/mol×K	441.62	Joback Calculated Property
Cp,gas	98.17	J/mol×K	473.55	Joback Calculated Property
Cp,gas	102.43	J/mol×K	505.47	Joback Calculated Property
ΔfusH	[7.98; 7.98]	kJ/mol	[174.90; 174.90]
ΔfusH	7.98	kJ/mol	174.90	NIST
ΔfusH	7.98	kJ/mol	174.90	NIST
ΔvapH	[26.60; 28.90]	kJ/mol	[272.00; 475.00]
ΔvapH	28.90	kJ/mol	272.00	NIST
ΔvapH	28.80 ± 0.10	kJ/mol	276.00	NIST
ΔvapH	27.90 ± 0.10	kJ/mol	292.00	NIST
ΔvapH	28.90	kJ/mol	293.50	NIST
ΔvapH	28.20	kJ/mol	302.50	NIST
ΔvapH	27.00 ± 0.10	kJ/mol	310.00	NIST
ΔvapH	28.90	kJ/mol	310.00	NIST
ΔvapH	27.00	kJ/mol	310.50	NIST
ΔvapH	26.95	kJ/mol	310.70	KDB
ΔvapH	27.70	kJ/mol	343.00	NIST
ΔvapH	26.60	kJ/mol	412.50	NIST
ΔvapH	26.70	kJ/mol	475.00	NIST
Pvap	[8.00; 126.00]	kPa	[252.89; 317.35]
Pvap	8.00	kPa	252.89	Measurement of VLE (TPx or TPxy data) for hydrogen sulfide + (dimethylsulfide or ethylmethylsulfide or carbon disulfide) and methane solubilities in (dimethylsulfide or ethylmethylsulfide or methylmercaptan or ethylmercaptan)
Pvap	8.00	kPa	253.06	Measurement of VLE (TPx or TPxy data) for hydrogen sulfide + (dimethylsulfide or ethylmethylsulfide or carbon disulfide) and methane solubilities in (dimethylsulfide or ethylmethylsulfide or methylmercaptan or ethylmercaptan)
Pvap	22.00	kPa	272.76	Measurement of VLE (TPx or TPxy data) for hydrogen sulfide + (dimethylsulfide or ethylmethylsulfide or carbon disulfide) and methane solubilities in (dimethylsulfide or ethylmethylsulfide or methylmercaptan or ethylmercaptan)
Pvap	29.00	kPa	278.46	Measurement of VLE (TPx or TPxy data) for hydrogen sulfide + (dimethylsulfide or ethylmethylsulfide or carbon disulfide) and methane solubilities in (dimethylsulfide or ethylmethylsulfide or methylmercaptan or ethylmercaptan)
Pvap	53.00	kPa	293.16	Measurement of VLE (TPx or TPxy data) for hydrogen sulfide + (dimethylsulfide or ethylmethylsulfide or carbon disulfide) and methane solubilities in (dimethylsulfide or ethylmethylsulfide or methylmercaptan or ethylmercaptan)
Pvap	54.00	kPa	293.43	Measurement of VLE (TPx or TPxy data) for hydrogen sulfide + (dimethylsulfide or ethylmethylsulfide or carbon disulfide) and methane solubilities in (dimethylsulfide or ethylmethylsulfide or methylmercaptan or ethylmercaptan)
Pvap	53.20	kPa	293.94	Infinite dilution activity coefficient and vapour liquid equilibrium measurements for dimethylsulphide and tetrahydrothiophene with hydrocarbons
Pvap	91.70	kPa	307.86	Isothermal binary vapour liquid equilibrium for butanes and butenes with dimethylsulphide
Pvap	107.70	kPa	312.58	Isothermal binary vapour liquid equilibrium for butanes and butenes with dimethylsulphide
Pvap	106.20	kPa	312.59	Isothermal binary vapour liquid equilibrium for butanes and butenes with dimethylsulphide
Pvap	107.40	kPa	312.60	Isothermal binary vapour liquid equilibrium for butanes and butenes with dimethylsulphide
Pvap	108.80	kPa	312.86	Infinite dilution activity coefficient and vapour liquid equilibrium measurements for dimethylsulphide and tetrahydrothiophene with hydrocarbons
Pvap	112.00	kPa	313.30	Measurement of VLE (TPx or TPxy data) for hydrogen sulfide + (dimethylsulfide or ethylmethylsulfide or carbon disulfide) and methane solubilities in (dimethylsulfide or ethylmethylsulfide or methylmercaptan or ethylmercaptan)
Pvap	112.00	kPa	313.43	Measurement of VLE (TPx or TPxy data) for hydrogen sulfide + (dimethylsulfide or ethylmethylsulfide or carbon disulfide) and methane solubilities in (dimethylsulfide or ethylmethylsulfide or methylmercaptan or ethylmercaptan)
Pvap	126.00	kPa	317.32	Isothermal binary vapour liquid equilibrium for butanes and butenes with dimethylsulphide
Pvap	126.00	kPa	317.35	Isothermal binary vapour liquid equilibrium for butanes and butenes with dimethylsulphide
n0	1.43127		298.15	Vapor-liquid equilibrium measurements of dimethylsulfide, +ethanol, +dimethylether, +methylacetate with a static total pressure method
ρl	848.00	kg/m3	293.00	KDB
γ	0.02	N/m	293.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 5408.73]	kPa	[226.08; 503.04]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42778e+01
Coefficient B			-2.64997e+03
Coefficient C			-3.66590e+01
Temperature range, min.			226.08
Temperature range, max.			503.04
Pvap	1.33	kPa	226.08	Calculated Property
Pvap	9.42	kPa	256.85	Calculated Property
Pvap	41.21	kPa	287.63	Calculated Property
Pvap	130.59	kPa	318.40	Calculated Property
Pvap	329.72	kPa	349.17	Calculated Property
Pvap	705.12	kPa	379.95	Calculated Property
Pvap	1330.66	kPa	410.72	Calculated Property
Pvap	2280.02	kPa	441.49	Calculated Property
Pvap	3620.50	kPa	472.27	Calculated Property
Pvap	5408.73	kPa	503.04	Calculated Property
Pvap	[0.01; 5420.81]	kPa	[174.88; 503.04]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			5.57712e+01
Coefficient B			-4.97113e+03
Coefficient C			-6.21581e+00
Coefficient D			5.43587e-06
Temperature range, min.			174.88
Temperature range, max.			503.04
Pvap	0.01	kPa	174.88	Calculated Property
Pvap	0.46	kPa	211.34	Calculated Property
Pvap	5.92	kPa	247.80	Calculated Property
Pvap	36.75	kPa	284.27	Calculated Property
Pvap	142.86	kPa	320.73	Calculated Property
Pvap	407.15	kPa	357.19	Calculated Property
Pvap	937.21	kPa	393.65	Calculated Property
Pvap	1855.85	kPa	430.12	Calculated Property
Pvap	3298.59	kPa	466.58	Calculated Property
Pvap	5420.81	kPa	503.04	Calculated Property

Similar Compounds

Find more compounds similar to Dimethyl sulfide.

Mixtures

• Dimethyl sulfide + Methane
• Dimethyl sulfide + Hydrogen sulfide
• Dimethyl sulfide + 1-Butene
• Dimethyl sulfide + 2-Butene, (Z)-
• Dimethyl sulfide + 2-Butene, (E)-
• Dimethyl sulfide + 1-Propene, 2-methyl-
• Dimethyl sulfide + Butane
• Dimethyl sulfide + Isobutane
• Dimethyl sulfide + n-Hexane
• Dimethyl sulfide + 1-Hexene
• Dimethyl sulfide + Pentane, 2,2,4-trimethyl-
• Dimethyl sulfide + 1-Pentene, 2,4,4-trimethyl-
• Dimethyl sulfide + Propane
• Dimethyl sulfide + Ethanol
• Dimethyl sulfide + Acetic acid, methyl ester
• Dimethyl sulfide + Dimethyl ether
• Dimethyl sulfide + Water
• Dimethyl sulfide + Methyldiethanolamine + Water

Sources

• KDB Pure (Korean Thermophysical Properties Databank)
• KDB Vapor Pressure Data
• Crippen Method
• Measurement of VLE (TPx or TPxy data) for hydrogen sulfide + (dimethylsulfide or ethylmethylsulfide or carbon disulfide) and methane solubilities in (dimethylsulfide or ethylmethylsulfide or methylmercaptan or ethylmercaptan)
• Isothermal binary vapour liquid equilibrium for butanes and butenes with dimethylsulphide
• Infinite dilution activity coefficient and vapour liquid equilibrium measurements for dimethylsulphide and tetrahydrothiophene with hydrocarbons
• Vapor-liquid equilibrium measurements of dimethylsulfide, +ethanol, +dimethylether, +methylacetate with a static total pressure method
• Measurement and correlation for the solubility of dimethyl succinylsuccinate in (methanol + water) and (methanol + dimethyl succinate) binary solvent mixtures
• Determination of Henry s Law Constants and Activity Coefficients at Infinite Dilution of Flavor Compounds in Water at 298 K with a Gas-Chromatographic Method
• Measurement of Henry s Law Constants and Infinite Dilution Activity Coefficients of Propyl Mercaptan, Butyl Mercaptan, and Dimethyl Sulfide in Methyldiethanolamine (1) + Water (2) with w1 ) 0.50 Using a Gas Stripping Technique
• Liquid-Liquid Equilibria on Three Binary Systems: Methyl Cyclopropanecarboxalate + Water; Dimethyl Sulfide + Water; and Dimethyl Disulfide + Water
• Limiting Separation Factors and Limiting Activity Coefficients for Hexanal, 2-Methylbutanal, 3-Methylbutanal, and Dimethylsulfide in Water at (98.1 to 99.0) deg C
• Measurement through a Gas Stripping Technique of Henry's Law Constants and Infinite Dilution Activity Coefficients of Propyl Mercaptan, Butyl Mercaptan, and Dimethyl Sulfide in Methyldiethanolamine (1) + Water (2) with w1 = 0.25 and 0.35
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.