Chemical Properties of Methanethiol (CAS 74-93-1)

InChI

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

InChI Key

LSDPWZHWYPCBBB-UHFFFAOYSA-N

Formula

CH4S

SMILES

CS

Molecular Weight¹

48.11

CAS

74-93-1

Other Names

• CH3SH
• MERCAPTOMETHANE
• METHYL MERCAPTAN
• METHYL THIOALCOHOL
• Mercaptan methylique
• Methaanthiol
• Methanethiole
• Methanthiol
• Methvtiolo
• Methyl sulfhydrate
• Methylmercaptaan
• Metilmercaptano
• Rcra waste number U153
• Thiomethanol
• UN 1064

• 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).
• C_p,liquid : Liquid phase 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_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_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).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• γ : Surface Tension (N/m).
• Δ_vapS : Entropy of vaporization at a given temperature (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).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.1530		KDB
PAff	773.40	kJ/mol	NIST
BasG	742.00	kJ/mol	NIST
ΔcH°liquid	-1520.80 ± 0.50	kJ/mol	NIST
μ	1.30	debye	KDB
ΔfG°	-9.92	kJ/mol	KDB
ΔfH°gas	[-22.99; -22.80]	kJ/mol
ΔfH°gas	-22.99	kJ/mol	KDB
ΔfH°gas	-22.80 ± 0.59	kJ/mol	NIST
ΔfH°liquid	-46.65 ± 0.54	kJ/mol	NIST
ΔfH°(+) ion	889.00 ± 8.00	kJ/mol	NIST
ΔfH(+) ion,0K	898.00 ± 8.00	kJ/mol	NIST
ΔfusH°	2.39	kJ/mol	Joback Calculated Property
ΔvapH°	[23.80; 23.90]	kJ/mol
ΔvapH°	23.80	kJ/mol	NIST
ΔvapH°	23.80 ± 0.08	kJ/mol	NIST
ΔvapH°	23.90	kJ/mol	NIST
IE	[9.41; 9.46]	eV
IE	9.44 ± 0.01	eV	NIST
IE	9.45 ± 0.01	eV	NIST
IE	9.44	eV	NIST
IE	Outlier 9.46	eV	NIST
IE	9.44	eV	NIST
IE	9.44	eV	NIST
IE	Outlier 9.41	eV	NIST
IE	9.42	eV	NIST
IE	9.44 ± 0.01	eV	NIST
IE	9.44 ± 0.01	eV	NIST
IE	9.44 ± 0.00	eV	NIST
IE	9.44	eV	NIST
IE	9.44	eV	NIST
log10WS	-0.31		Crippen Calculated Property
logPoct/wat	0.546		Crippen Calculated Property
McVol	41.300	ml/mol	McGowan Calculated Property
Pc	[7230.00; 7230.00]	kPa
Pc	7230.00	kPa	KDB
Pc	7230.00 ± 50.66	kPa	NIST
ρc	331.51 ± 1.92	kg/m3	NIST
Inp	[393.00; 473.00]
Inp	400.00		NIST
Inp	401.00		NIST
Inp	401.00		NIST
Inp	393.00		NIST
Inp	396.00		NIST
Inp	398.00		NIST
Inp	401.00		NIST
Inp	464.00		NIST
Inp	464.00		NIST
Inp	473.00		NIST
Inp	414.00		NIST
Inp	414.00		NIST
Inp	460.00		NIST
Inp	430.00		NIST
Inp	444.00		NIST
Inp	461.00		NIST
Inp	414.00		NIST
Inp	414.00		NIST
Inp	414.00		NIST
Inp	460.00		NIST
Inp	400.00		NIST
Inp	398.00		NIST
I	[640.00; 702.00]
I	643.00		NIST
I	694.00		NIST
I	695.00		NIST
I	688.00		NIST
I	Outlier 640.00		NIST
I	675.00		NIST
I	702.00		NIST
I	700.00		NIST
I	690.00		NIST
I	696.00		NIST
I	655.00		NIST
I	668.00		NIST
I	679.00		NIST
I	699.00		NIST
I	702.00		NIST
I	702.00		NIST
I	702.00		NIST
I	688.00		NIST
I	690.00		NIST
I	699.00		NIST
I	643.00		NIST
S°liquid	163.22	J/mol×K	NIST
Tboil	[279.00; 279.70]	K
Tboil	279.11	K	KDB
Tboil	279.00 ± 3.00	K	NIST
Tboil	279.05 ± 0.10	K	NIST
Tboil	279.00 ± 2.00	K	NIST
Tboil	Outlier 279.70 ± 0.50	K	NIST
Tboil	279.00 ± 2.00	K	NIST
Tboil	279.00 ± 2.00	K	NIST
Tc	[469.90; 470.00]	K
Tc	470.00	K	KDB
Tc	469.90 ± 0.40	K	NIST
Tc	469.90 ± 0.40	K	NIST
Tfus	[150.00; 152.15]	K
Tfus	150.00	K	KDB
Tfus	150.18 ± 0.02	K	NIST
Tfus	150.10 ± 0.50	K	NIST
Tfus	150.10 ± 0.40	K	NIST
Tfus	152.15 ± 0.60	K	NIST
Ttriple	[150.14; 150.16]	K
Ttriple	150.14 ± 0.05	K	NIST
Ttriple	150.16 ± 0.03	K	NIST
Vc	0.145	m3/kmol	KDB
Zc	0.2682700		KDB
Zra	0.28		KDB

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
Cp,liquid	89.04	J/mol×K	280.00	NIST
ΔfusH	[2.20; 5.90]	kJ/mol	[137.60; 150.20]
ΔfusH	2.20	kJ/mol	137.60	NIST
ΔfusH	5.90	kJ/mol	150.20	NIST
ΔfusH	5.90	kJ/mol	150.20	NIST
ΔvapH	[23.70; 27.20]	kJ/mol	[250.50; 442.00]
ΔvapH	25.80	kJ/mol	250.50	NIST
ΔvapH	25.70	kJ/mol	252.00	NIST
ΔvapH	27.20	kJ/mol	253.00	NIST
ΔvapH	24.56	kJ/mol	279.10	KDB
ΔvapH	24.57	kJ/mol	279.12	NIST
ΔvapH	25.20	kJ/mol	313.00	NIST
ΔvapH	23.70	kJ/mol	384.50	NIST
ΔvapH	24.20	kJ/mol	442.00	NIST
Pvap	[20.00; 200.00]	kPa	[243.19; 298.23]
Pvap	20.00	kPa	243.19	Measure...
Pvap	42.00	kPa	258.00	Measure...
Pvap	80.00	kPa	272.98	Measure...
Pvap	170.00	kPa	293.35	Measure...
Pvap	200.00	kPa	298.23	Measure...
ρl	866.00	kg/m3	293.00	KDB
ΔfusS	[1.59; 39.33]	J/mol×K	[137.60; 150.20]
ΔfusS	1.59	J/mol×K	137.60	NIST
ΔfusS	39.33	J/mol×K	150.20	NIST
γ	0.02	N/m	293.20	KDB
ΔvapS	88.02	J/mol×K	279.12	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 4177.44]	kPa	[204.56; 429.95]	The Yaw...
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 Vap...
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
• 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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