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

Methanethiol

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
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Physical Properties

Property Value Unit Source
ω [0.1488; 0.1530]   Show Hide
ω 0.1488 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω 0.1500 ChemSep v8.3 pure component data Compiled value
ω 0.1530 KDB
μ [1.30; 1.52] debye Show Hide
μ 1.52 debye ChemSep v8.3 pure component data Compiled value
μ 1.30 debye KDB
ΔfG° [-9.92; -9.92] kJ/mol Show Hide
ΔfG° -9.92 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfG° -9.92 kJ/mol KDB
ΔfH°gas [-22.99; -22.60] kJ/mol Show Hide
ΔfH°gas -22.60 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas -22.99 kJ/mol KDB
ΔfH°(+) ion 916.00 kJ/mol NIST
ΔfH(+) ion,0K 925.00 kJ/mol NIST
ΔfusH° 2.39 kJ/mol Joback Calculated Property
ΔvapH° 25.17 kJ/mol Relay (1.0) Calculated Property
IE 9.49 eV Relay (1.0) Calculated Property
logPoct/wat 0.546 Crippen Calculated Property
McVol 41.300 ml/mol McGowan Calculated Property
Pc [7230.00; 7234.61] kPa Show Hide
Pc 7230.00 kPa IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 8 Compiled value
Pc 7234.61 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc 7230.00 kPa ChemSep v8.3 pure component data Compiled value
Pc 7233.00 kPa Air Liquide Gas Encyclopedia
Pc 7230.00 kPa KDB
Ptriple 3.15e-03 kPa ChemSep v8.3 pure component data Compiled value
Tboil [279.11; 279.11] K Show Hide
Tboil 279.11 K ChemSep v8.3 pure component data Compiled value
Tboil 279.11 K Air Liquide Gas Encyclopedia
Tboil 279.11 K KDB
Tc [469.95; 470.00] K Show Hide
Tc 470.00 K IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 8 Compiled value
Tc 470.00 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc 470.00 K ChemSep v8.3 pure component data Compiled value
Tc 469.95 K Air Liquide Gas Encyclopedia
Tc 470.00 K KDB
Tfus [150.00; 151.15] K Show Hide
Tfus 151.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 150.18 K ChemSep v8.3 pure component data Compiled value
Tfus 150.00 K KDB
Ttriple [150.17; 150.18] K Show Hide
Ttriple 150.17 K Staveley, Lobo and Calado (1981), triple points Compiled value
Ttriple 150.18 K ChemSep v8.3 pure component data Compiled value
UQi 1.68 ChemSep v8.3 pure component data Compiled value
URi 1.88 ChemSep v8.3 pure component data Compiled value
Vc [0.145; 0.147] m3/kmol Show Hide
Vc 0.147 m3/kmol IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 8 Compiled value
Vc 0.145 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc 0.145 m3/kmol ChemSep v8.3 pure component data Compiled value
Vc 0.145 m3/kmol KDB
VCOSTALD 0.15 m3/kmol Hankinson and Thomson (1979), COSTALD parameters Compiled value
ωSRK 0.16 Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zc [0.2680000; 0.2720000]   Show Hide
Zc 0.2720000 IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 8 Compiled value
Zc 0.2680000 ChemSep v8.3 pure component data Compiled value
Zc 0.2682700 KDB
Zra [0.27; 0.28]   Show Hide
Zra 0.28 Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zra 0.27 ChemSep v8.3 pure component data Compiled value
Zra 0.28 KDB

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
ΔvapH [24.54; 24.56] kJ/mol [279.10; 279.11] Show Hide
ΔvapH 24.56 kJ/mol 279.10 KDB
ΔvapH 24.54 kJ/mol 279.11 Air Liquide Gas Encyclopedia
Pvap [20.00; 200.00] kPa [243.19; 298.23] Show Hide
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)
ρg [2.03; 2.12] kg/m3 [279.11; 288.15] Show Hide
ρg 2.12 kg/m3 279.11 Air Liquide Gas Encyclopedia
ρg 2.03 kg/m3 288.15 Air Liquide Gas Encyclopedia
ρl [866.00; 886.00] kg/m3 [279.11; 293.00] Show Hide
ρl 886.00 kg/m3 279.11 Air Liquide Gas Encyclopedia
ρl 866.00 kg/m3 293.00 KDB
γ 0.02 N/m 293.20 KDB

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [38.75; 107.64] J/mol×K [100.00; 1500.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.85350e+01
Coefficient B-5.88350e+02
Coefficient C4.32424e+00
Coefficient D4.47820e-04
Coefficient E-1.63630e-07
Temperature range, min.100.00
Temperature range, max.1500.00
Cp,gas 38.75 J/mol×K 100.00 Calculated Property
Cp,gas 46.91 J/mol×K 255.56 Calculated Property
Cp,gas 59.64 J/mol×K 411.11 Calculated Property
Cp,gas 71.23 J/mol×K 566.67 Calculated Property
Cp,gas 80.96 J/mol×K 722.22 Calculated Property
Cp,gas 88.99 J/mol×K 877.78 Calculated Property
Cp,gas 95.53 J/mol×K 1033.33 Calculated Property
Cp,gas 100.74 J/mol×K 1188.89 Calculated Property
Cp,gas 104.75 J/mol×K 1344.44 Calculated Property
Cp,gas 107.64 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [87.32; 90.47] J/mol×K [150.18; 298.15] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,liquid in J/mol×K, T in K
Coefficient A8.73180e+01
Coefficient B-5.92220e+04
Coefficient C5.43382e+02
Coefficient D-1.65990e+00
Coefficient E1.70200e-03
Temperature range, min.150.18
Temperature range, max.298.15
Cp,liquid 87.32 J/mol×K 150.18 Calculated Property
Cp,liquid 87.32 J/mol×K 166.62 Calculated Property
Cp,liquid 87.32 J/mol×K 183.06 Calculated Property
Cp,liquid 87.32 J/mol×K 199.50 Calculated Property
Cp,liquid 87.32 J/mol×K 215.94 Calculated Property
Cp,liquid 87.32 J/mol×K 232.39 Calculated Property
Cp,liquid 87.42 J/mol×K 248.83 Calculated Property
Cp,liquid 87.97 J/mol×K 265.27 Calculated Property
Cp,liquid 89.18 J/mol×K 281.71 Calculated Property
Cp,liquid 90.47 J/mol×K 298.15 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0020214; 0.0001631] Pa×s [150.18; 373.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-8.94700e+00
Coefficient B6.07010e+02
Coefficient C-2.64470e-01
Coefficient D1.18070e-06
Coefficient E2.00000e+00
Temperature range, min.150.18
Temperature range, max.373.00
η 0.0020214 Pa×s 150.18 Calculated Property
η 0.0011062 Pa×s 174.94 Calculated Property
η 0.0007023 Pa×s 199.70 Calculated Property
η 0.0004931 Pa×s 224.45 Calculated Property
η 0.0003717 Pa×s 249.21 Calculated Property
η 0.0002954 Pa×s 273.97 Calculated Property
η 0.0002443 Pa×s 298.73 Calculated Property
η 0.0002085 Pa×s 323.48 Calculated Property
η 0.0001825 Pa×s 348.24 Calculated Property
η 0.0001631 Pa×s 373.00 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [29.90; 2.27] kJ/mol [150.18; 469.95] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc
Y is ΔvapH in kJ/mol, T in K
Coefficient A3.22137e+01
Coefficient B-3.10105e-03
Coefficient C6.57759e-01
Coefficient D-2.49162e-02
Coefficient E-3.40052e-01
Critical temperature, Tc (K)4.70000e+02
Temperature range, min.150.18
Temperature range, max.469.95
ΔvapH 29.90 kJ/mol 150.18 Calculated Property
ΔvapH 28.67 kJ/mol 185.71 Calculated Property
ΔvapH 27.21 kJ/mol 221.24 Calculated Property
ΔvapH 25.55 kJ/mol 256.77 Calculated Property
ΔvapH 23.72 kJ/mol 292.30 Calculated Property
ΔvapH 21.76 kJ/mol 327.83 Calculated Property
ΔvapH 19.65 kJ/mol 363.36 Calculated Property
ΔvapH 17.30 kJ/mol 398.89 Calculated Property
ΔvapH 14.29 kJ/mol 434.42 Calculated Property
ΔvapH 2.27 kJ/mol 469.95 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 4177.44] kPa [204.56; 429.95] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.42712e+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 [1.17e-03; 7569.07] kPa [150.18; 469.95] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is Pvap in kPa, T in K
Coefficient A1.08252e+02
Coefficient B-6.30005e+03
Coefficient C-1.46648e+01
Coefficient D1.95265e-05
Coefficient E2.00000e+00
Temperature range, min.150.18
Temperature range, max.469.95
Pvap 1.17e-03 kPa 150.18 Calculated Property
Pvap 0.20 kPa 185.71 Calculated Property
Pvap 4.73 kPa 221.24 Calculated Property
Pvap 38.12 kPa 256.77 Calculated Property
Pvap 164.61 kPa 292.30 Calculated Property
Pvap 486.63 kPa 327.83 Calculated Property
Pvap 1138.15 kPa 363.36 Calculated Property
Pvap 2303.65 kPa 398.89 Calculated Property
Pvap 4276.27 kPa 434.42 Calculated Property
Pvap 7569.07 kPa 469.95 Calculated Property
Pvap [1.37e-03; 7232.87] kPa [150.18; 470.00] KDB Vapor Pressure Data Show Hide
Equationln(Y) = A + B/T + C·ln(T) + D·T² + E/T²
Y is Pvap in kPa, T in K
Coefficient A9.18684e+01
Coefficient B-5.80626e+03
Coefficient C-1.19968e+01
Coefficient D1.44187e-05
Coefficient E0.00000e+00
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
Property Value Unit Temperature (K) Source
ρl [1037.31; 543.07] kg/m3 [150.18; 453.12] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A / B^(1 + (1 − T/C)^D)
Y is ρl in kg/m3, T in K
Coefficient A9.40020e+01
Coefficient B2.81710e-01
Coefficient C4.70000e+02
Coefficient D2.87370e-01
Temperature range, min.150.18
Temperature range, max.453.12
ρl 1037.31 kg/m3 150.18 Calculated Property
ρl 1000.96 kg/m3 183.84 Calculated Property
ρl 962.87 kg/m3 217.50 Calculated Property
ρl 922.63 kg/m3 251.16 Calculated Property
ρl 879.69 kg/m3 284.82 Calculated Property
ρl 833.19 kg/m3 318.48 Calculated Property
ρl 781.75 kg/m3 352.14 Calculated Property
ρl 722.78 kg/m3 385.80 Calculated Property
ρl 650.44 kg/m3 419.46 Calculated Property
ρl 543.07 kg/m3 453.12 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.05; 0.03] N/m [150.15; 279.15] Jasper (1972), surface tension of pure liquid compounds Compiled value Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is γ in N/m, T in K
Coefficient A7.44162e-02
Coefficient B-1.69600e-04
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.150.15
Temperature range, max.279.15
γ 0.05 N/m 150.15 Calculated Property
γ 0.05 N/m 164.48 Calculated Property
γ 0.04 N/m 178.82 Calculated Property
γ 0.04 N/m 193.15 Calculated Property
γ 0.04 N/m 207.48 Calculated Property
γ 0.04 N/m 221.82 Calculated Property
γ 0.03 N/m 236.15 Calculated Property
γ 0.03 N/m 250.48 Calculated Property
γ 0.03 N/m 264.82 Calculated Property
γ 0.03 N/m 279.15 Calculated Property
γ [0.05; 1.28e-05] N/m [150.18; 467.39] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is γ in N/m, T in K
Coefficient A-1.34600e-02
Coefficient B4.14230e+01
Coefficient C-3.01120e+00
Coefficient D1.36070e-03
Coefficient E-9.24900e-06
CommentRange stopped where the equation turns negative; ChemSep gives it to 469.95 K.
Temperature range, min.150.18
Temperature range, max.467.39
γ 0.05 N/m 150.18 Calculated Property
γ 0.04 N/m 185.43 Calculated Property
γ 0.04 N/m 220.67 Calculated Property
γ 0.03 N/m 255.92 Calculated Property
γ 0.03 N/m 291.16 Calculated Property
γ 0.02 N/m 326.41 Calculated Property
γ 0.01 N/m 361.65 Calculated Property
γ 0.01 N/m 396.90 Calculated Property
γ 0.00 N/m 432.15 Calculated Property
γ 1.28e-05 N/m 467.39 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.00; 0.08] W/m×K [150.18; 1000.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·T^B / (1 + C/T + D/T²)
Y is λgas in W/m×K, T in K
Coefficient A2.46890e-05
Coefficient B1.17020e+00
Coefficient C4.71840e+00
Coefficient D3.54660e+04
Temperature range, min.150.18
Temperature range, max.1000.00
λgas 0.00 W/m×K 150.18 Calculated Property
λgas 0.01 W/m×K 244.60 Calculated Property
λgas 0.02 W/m×K 339.03 Calculated Property
λgas 0.03 W/m×K 433.45 Calculated Property
λgas 0.03 W/m×K 527.88 Calculated Property
λgas 0.04 W/m×K 622.30 Calculated Property
λgas 0.05 W/m×K 716.73 Calculated Property
λgas 0.06 W/m×K 811.15 Calculated Property
λgas 0.07 W/m×K 905.58 Calculated Property
λgas 0.08 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.20; 0.15] W/m×K [150.18; 279.11] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is λliquid in W/m×K, T in K
Coefficient A-1.12420e-02
Coefficient B-1.14240e+01
Coefficient C-1.17010e+00
Coefficient D-1.77290e-03
Coefficient E-1.20430e-06
Temperature range, min.150.18
Temperature range, max.279.11
λliquid 0.20 W/m×K 150.18 Calculated Property
λliquid 0.20 W/m×K 164.51 Calculated Property
λliquid 0.19 W/m×K 178.83 Calculated Property
λliquid 0.19 W/m×K 193.16 Calculated Property
λliquid 0.18 W/m×K 207.48 Calculated Property
λliquid 0.18 W/m×K 221.81 Calculated Property
λliquid 0.17 W/m×K 236.13 Calculated Property
λliquid 0.17 W/m×K 250.46 Calculated Property
λliquid 0.16 W/m×K 264.78 Calculated Property
λliquid 0.15 W/m×K 279.11 Calculated Property

Similar Compounds

Mercaptomethyl radical. MeS anion. Methylsulfenyliodide. Methanesulfenylchloride. Methanedithiol. METHYLSULFIDTIOLE. Thiocyanic acid, methyl ester. Methane-d3,(methylthio). Dimethyl sulfide. Disulfide, dimethyl. Dimethyl trisulfide. Dimethyl 1,3-dithio-2-selenide. Methyl-d3 radical. Dithiomethane, methyl. Methyl radical.

Find more compounds similar to Methanethiol.

Mixtures

Sources

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