Chemical Properties of Methanethiol (CAS 63933-47-1)

InChI

InChI=1S/CH4S/c1-2/h2H,1H3

InChI Key

LSDPWZHWYPCBBB-UHFFFAOYSA-N

Formula

CH4S

SMILES

CS

Molecular Weight¹

48.11

CAS

63933-47-1

Other Names

• CH3SH
• Mercaptan methylique
• Mercaptomethane
• Methaanthiol
• Methanethiole
• Methanthiol
• Methvtiolo
• Methyl sulfhydrate
• Methyl thioalcohol
• Methylmercaptaan
• Metilmercaptano
• Rcra waste number U153
• Thiomethanol
• UN 1064
• methyl mercaptan

• ω : Acentric Factor.
• 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°_{(+) ion} : Enthalpy of formation of positive ion at standard conditions (kJ/mol).
• Δ_fH_{(+) ion,0K} : Enthalpy of formation of positive ion at 0K (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• γ : Surface Tension (N/m).
• 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).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[48.67; 65.49]	J/mol×K	[285.14; 474.99]
Cp,gas	48.67	J/mol×K	285.14	Joback Calculated Property
Cp,gas	51.70	J/mol×K	316.78	Joback Calculated Property
Cp,gas	54.65	J/mol×K	348.42	Joback Calculated Property
Cp,gas	57.49	J/mol×K	380.07	Joback Calculated Property
Cp,gas	60.25	J/mol×K	411.71	Joback Calculated Property
Cp,gas	62.92	J/mol×K	443.35	Joback Calculated Property
Cp,gas	65.49	J/mol×K	474.99	Joback Calculated Property
ΔvapH	24.56	kJ/mol	279.10	KDB
Pvap	[20.00; 200.00]	kPa	[243.19; 298.23]
Pvap	20.00	kPa	243.19	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	42.00	kPa	258.00	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	80.00	kPa	272.98	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	170.00	kPa	293.35	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	200.00	kPa	298.23	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)
ρl	866.00	kg/m3	293.00	KDB
γ	0.02	N/m	293.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 4177.44]	kPa	[204.56; 429.95]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42712e+01
Coefficient B			-2.32325e+03
Coefficient C			-3.84210e+01
Temperature range, min.			204.56
Temperature range, max.			429.95
Pvap	1.33	kPa	204.56	Calculated Property
Pvap	8.32	kPa	229.60	Calculated Property
Pvap	34.01	kPa	254.65	Calculated Property
Pvap	103.75	kPa	279.69	Calculated Property
Pvap	256.59	kPa	304.73	Calculated Property
Pvap	543.11	kPa	329.78	Calculated Property
Pvap	1020.92	kPa	354.82	Calculated Property
Pvap	1749.38	kPa	379.86	Calculated Property
Pvap	2784.93	kPa	404.91	Calculated Property
Pvap	4177.44	kPa	429.95	Calculated Property
Pvap	[1.37e-03; 7232.87]	kPa	[150.18; 470.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.18684e+01
Coefficient B			-5.80626e+03
Coefficient C			-1.19968e+01
Coefficient D			1.44187e-05
Temperature range, min.			150.18
Temperature range, max.			470.00
Pvap	1.37e-03	kPa	150.18	Calculated Property
Pvap	0.21	kPa	185.72	Calculated Property
Pvap	4.74	kPa	221.25	Calculated Property
Pvap	38.34	kPa	256.79	Calculated Property
Pvap	167.61	kPa	292.32	Calculated Property
Pvap	500.66	kPa	327.86	Calculated Property
Pvap	1173.04	kPa	363.39	Calculated Property
Pvap	2349.47	kPa	398.93	Calculated Property
Pvap	4254.38	kPa	434.46	Calculated Property
Pvap	7232.87	kPa	470.00	Calculated Property

Similar Compounds

Find more compounds similar to Methanethiol.

Mixtures

• Methanethiol + Methane
• Methanethiol + Water
• Methanethiol + Nitrogen
• Methanethiol + Carbon dioxide

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Gas liquid partition coefficients and Henry s law constants of methyl mercaptan in aqueous solutions of Fe(II) CDTA chelate complex
• 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)
• Phase Equilibria of Three Binary Mixtures: Methanethiol + Methane, Methanethiol + Nitrogen, and Methanethiol + Carbon Dioxide
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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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