Chemical Properties of 2-Propanethiol (CAS 75-33-2)

2-Propanethiol

InChI
InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3
InChI Key
KJRCEJOSASVSRA-UHFFFAOYSA-N
Formula
C3H8S
SMILES
CC(C)S
Molecular Weight1
76.16
CAS
75-33-2
Other Names
  • 1-methylethanethiol
  • 2-MERCAPTOPROPANOL
  • 2-Mercaptopropane
  • 2-Propylthiol
  • 2-propylmercaptan
  • ISO-PROPYL MERCAPTAN
  • Isopropanethiol
  • NSC 87537
  • Propanethiol-(2)
  • iso-C3H7SH
  • isopropyl mercaptan
  • isopropylthiol
  • propane-2-thiol
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Physical Properties

Property Value Unit Source
ω 0.2138 ChemSep v8.3 pure component data Compiled value
PAff 803.60 kJ/mol NIST
BasG 772.30 kJ/mol NIST
ΔcH°liquid -2819.30 ± 0.48 kJ/mol NIST
μ 1.64 debye ChemSep v8.3 pure component data Compiled value
ΔfG° -2.18 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas [-76.94; -75.90] kJ/mol Show Hide
ΔfH°gas -75.90 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas -76.94 ± 0.63 kJ/mol NIST
ΔfH°liquid -106.60 ± 0.63 kJ/mol NIST
ΔfusH° 4.04 kJ/mol Joback Calculated Property
ΔvapH° [29.45; 30.10] kJ/mol Show Hide
ΔvapH° 29.63 kJ/mol NIST
ΔvapH° Outlier 30.10 kJ/mol NIST
ΔvapH° 29.50 kJ/mol NIST
ΔvapH° 29.70 kJ/mol NIST
ΔvapH° 29.45 kJ/mol NIST
ΔvapH° 29.45 kJ/mol NIST
IE [9.14; 9.15] eV Show Hide
IE 9.15 eV NIST
IE 9.15 eV NIST
IE 9.14 eV NIST
log10WS -1.19 Relay (1.0) Calculated Property
logPoct/wat 1.325 Crippen Calculated Property
McVol 69.480 ml/mol McGowan Calculated Property
Pc 4750.00 kPa ChemSep v8.3 pure component data Compiled value
Ptriple 9.73e-06 kPa ChemSep v8.3 pure component data Compiled value
Inp [522.00; 581.70]   Show Hide
Inp 572.10 NIST
Inp 581.70 NIST
Inp 565.90 NIST
Inp 569.00 NIST
Inp 566.00 NIST
Inp 555.00 NIST
Inp 537.00 NIST
Inp 540.00 NIST
Inp 566.00 NIST
Inp 566.00 NIST
Inp 572.00 NIST
Inp 570.00 NIST
Inp 569.00 NIST
Inp 539.00 NIST
Inp 562.00 NIST
Inp 550.00 NIST
Inp Outlier 522.00 NIST
Inp 539.00 NIST
Inp 572.00 NIST
Inp 550.00 NIST
Ip 773.00 NIST
S°liquid 233.55 J/mol×K NIST
Tboil [322.95; 333.00] K Show Hide
Tboil 325.75 K ChemSep v8.3 pure component data Compiled value
Tboil 322.95 K KDB
Tboil 331.70 K NIST
Tboil 325.70 K NIST
Tboil 325.70 K NIST
Tboil 327.00 ± 2.00 K NIST
Tboil 327.00 ± 4.00 K NIST
Tboil 325.80 ± 0.30 K NIST
Tboil 326.00 ± 3.00 K NIST
Tboil 325.70 ± 0.20 K NIST
Tboil 325.75 ± 0.30 K NIST
Tboil 330.00 ± 3.00 K NIST
Tboil 325.75 ± 0.20 K NIST
Tboil 324.40 ± 0.70 K NIST
Tboil 333.00 ± 1.38 K NIST
Tboil 331.00 ± 3.00 K NIST
Tboil 326.00 ± 2.00 K NIST
Tboil 332.00 ± 4.00 K NIST
Tboil 328.00 ± 3.00 K NIST
Tboil 330.00 ± 5.00 K NIST
Tboil 331.00 ± 2.00 K NIST
Tboil 332.00 ± 6.00 K NIST
Tc [517.30; 517.30] K Show Hide
Tc 517.30 K ChemSep v8.3 pure component data Compiled value
Tc 517.30 K NIST
Tfus [142.50; 142.63] K Show Hide
Tfus 142.61 K ChemSep v8.3 pure component data Compiled value
Tfus 142.63 K KDB
Tfus 142.61 ± 0.07 K NIST
Tfus 142.61 ± 0.06 K NIST
Tfus 142.52 ± 0.20 K NIST
Tfus 142.50 ± 0.30 K NIST
Ttriple [142.63; 142.64] K Show Hide
Ttriple 142.64 K ChemSep v8.3 pure component data Compiled value
Ttriple 142.63 ± 0.08 K NIST
Ttriple 142.64 ± 0.06 K NIST
Ttriple 142.63 ± 0.10 K NIST
Ttriple 142.63 ± 0.08 K NIST
Ttriple 142.64 ± 0.06 K NIST
UQi 2.84 ChemSep v8.3 pure component data Compiled value
URi 3.23 ChemSep v8.3 pure component data Compiled value
Vc 0.254 m3/kmol ChemSep v8.3 pure component data Compiled value
Zc 0.2810000 ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid 145.35 J/mol×K 298.15 NIST
ΔfusH [0.05; 5.74] kJ/mol [112.50; 142.60] Show Hide
ΔfusH 0.05 kJ/mol 112.50 NIST
ΔfusH 5.73 kJ/mol 142.60 NIST
ΔfusH 5.74 kJ/mol 142.60 NIST
ΔvapH [27.91; 31.90] kJ/mol [295.00; 325.72] Show Hide
ΔvapH 31.90 kJ/mol 295.00 NIST
ΔvapH 27.91 kJ/mol 325.70 NIST
ΔvapH 27.91 kJ/mol 325.72 NIST
ΔvapH 27.91 kJ/mol 325.72 NIST
ΔfusS [0.46; 40.21] J/mol×K [112.50; 142.60] Show Hide
ΔfusS 0.46 J/mol×K 112.50 NIST
ΔfusS 40.21 J/mol×K 142.60 NIST
ΔvapS [85.69; 85.69] J/mol×K [325.72; 325.72] Show Hide
ΔvapS 85.69 J/mol×K 325.72 NIST
ΔvapS 85.69 J/mol×K 325.72 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [77.85; 232.91] J/mol×K [200.00; 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 A6.85889e+01
Coefficient B-6.73291e+02
Coefficient C5.59268e+00
Coefficient D1.48646e-06
Coefficient E-1.96490e-08
CommentChemSep eq 16, IdealGasHeatCapacityCp
Temperature range, min.200.00
Temperature range, max.1500.00
Cp,gas 77.85 J/mol×K 200.00 Calculated Property
Cp,gas 106.53 J/mol×K 344.44 Calculated Property
Cp,gas 136.05 J/mol×K 488.89 Calculated Property
Cp,gas 160.67 J/mol×K 633.33 Calculated Property
Cp,gas 180.34 J/mol×K 777.78 Calculated Property
Cp,gas 195.98 J/mol×K 922.22 Calculated Property
Cp,gas 208.46 J/mol×K 1066.67 Calculated Property
Cp,gas 218.45 J/mol×K 1211.11 Calculated Property
Cp,gas 226.48 J/mol×K 1355.56 Calculated Property
Cp,gas 232.91 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [131.39; 155.00] J/mol×K [142.61; 350.00] 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 A-4.18209e+00
Coefficient B1.15782e+01
Coefficient C4.78546e+00
Coefficient D1.33303e-05
Coefficient E2.01520e-06
CommentChemSep eq 16, LiquidHeatCapacityCp
Temperature range, min.142.61
Temperature range, max.350.00
Cp,liquid 131.39 J/mol×K 142.61 Calculated Property
Cp,liquid 131.85 J/mol×K 165.65 Calculated Property
Cp,liquid 132.97 J/mol×K 188.70 Calculated Property
Cp,liquid 134.66 J/mol×K 211.74 Calculated Property
Cp,liquid 136.85 J/mol×K 234.78 Calculated Property
Cp,liquid 139.52 J/mol×K 257.83 Calculated Property
Cp,liquid 142.67 J/mol×K 280.87 Calculated Property
Cp,liquid 146.28 J/mol×K 303.91 Calculated Property
Cp,liquid 150.39 J/mol×K 326.96 Calculated Property
Cp,liquid 155.00 J/mol×K 350.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0063846; 0.0001553] Pa×s [142.61; 417.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is η in Pa×s, T in K
Coefficient A1.58085e-05
Coefficient B6.30996e+02
Coefficient C-8.67045e+00
Coefficient D-6.49300e-03
Coefficient E5.67628e-06
CommentChemSep eq 16, LiquidViscosity
Temperature range, min.142.61
Temperature range, max.417.00
η 0.0063846 Pa×s 142.61 Calculated Property
η 0.0025472 Pa×s 173.10 Calculated Property
η 0.0013000 Pa×s 203.59 Calculated Property
η 0.0007748 Pa×s 234.07 Calculated Property
η 0.0005133 Pa×s 264.56 Calculated Property
η 0.0003673 Pa×s 295.05 Calculated Property
η 0.0002786 Pa×s 325.54 Calculated Property
η 0.0002213 Pa×s 356.02 Calculated Property
η 0.0001825 Pa×s 386.51 Calculated Property
η 0.0001553 Pa×s 417.00 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [36.98; 3.49] kJ/mol [142.61; 517.00] 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 A4.07186e+01
Coefficient B1.89905e-01
Coefficient C4.20769e-01
Coefficient D-2.31137e-02
Coefficient E-2.58009e-01
Critical temperature, Tc (K)5.17300e+02
CommentChemSep eq 106, HeatOfVaporization
Temperature range, min.142.61
Temperature range, max.517.00
ΔvapH 36.98 kJ/mol 142.61 Calculated Property
ΔvapH 35.29 kJ/mol 184.21 Calculated Property
ΔvapH 33.36 kJ/mol 225.81 Calculated Property
ΔvapH 31.21 kJ/mol 267.41 Calculated Property
ΔvapH 28.87 kJ/mol 309.01 Calculated Property
ΔvapH 26.36 kJ/mol 350.60 Calculated Property
ΔvapH 23.64 kJ/mol 392.20 Calculated Property
ΔvapH 20.57 kJ/mol 433.80 Calculated Property
ΔvapH 16.61 kJ/mol 475.40 Calculated Property
ΔvapH 3.49 kJ/mol 517.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [240.97; 349.13] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.50317e+01
Coefficient B-3.08550e+03
Coefficient C-3.16970e+01
Temperature range, min.240.97
Temperature range, max.349.13
Pvap 1.33 kPa 240.97 Calculated Property
Pvap 2.97 kPa 252.99 Calculated Property
Pvap 6.09 kPa 265.01 Calculated Property
Pvap 11.64 kPa 277.02 Calculated Property
Pvap 20.94 kPa 289.04 Calculated Property
Pvap 35.76 kPa 301.06 Calculated Property
Pvap 58.33 kPa 313.08 Calculated Property
Pvap 91.40 kPa 325.09 Calculated Property
Pvap 138.25 kPa 337.11 Calculated Property
Pvap 202.66 kPa 349.13 Calculated Property
Pvap [1.01e-05; 4019.26] kPa [142.61; 517.00] 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 A4.55862e+01
Coefficient B-5.01881e+03
Coefficient C-4.41415e+00
Coefficient D1.96904e-13
Coefficient E2.00000e+00
CommentChemSep eq 101, VaporPressure
Temperature range, min.142.61
Temperature range, max.517.00
Pvap 1.01e-05 kPa 142.61 Calculated Property
Pvap 9.25e-03 kPa 184.21 Calculated Property
Pvap 0.57 kPa 225.81 Calculated Property
Pvap 8.57 kPa 267.41 Calculated Property
Pvap 56.63 kPa 309.01 Calculated Property
Pvap 222.75 kPa 350.60 Calculated Property
Pvap 619.82 kPa 392.20 Calculated Property
Pvap 1354.98 kPa 433.80 Calculated Property
Pvap 2489.13 kPa 475.40 Calculated Property
Pvap 4019.26 kPa 517.00 Calculated Property
Pvap [6.79e-06; 4757.55] kPa [142.61; 517.00] 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 A7.86655e+01
Coefficient B-6.03365e+03
Coefficient C-9.76729e+00
Coefficient D9.34946e-06
Coefficient E0.00000e+00
Temperature range, min.142.61
Temperature range, max.517.00
Pvap 6.79e-06 kPa 142.61 Calculated Property
Pvap 8.93e-03 kPa 184.21 Calculated Property
Pvap 0.60 kPa 225.81 Calculated Property
Pvap 8.88 kPa 267.41 Calculated Property
Pvap 56.42 kPa 309.01 Calculated Property
Pvap 215.39 kPa 350.60 Calculated Property
Pvap 596.75 kPa 392.20 Calculated Property
Pvap 1343.94 kPa 433.80 Calculated Property
Pvap 2642.91 kPa 475.40 Calculated Property
Pvap 4757.55 kPa 517.00 Calculated Property
Pvap [19.92; 270.06] kPa [283.84; 358.94] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.38207e+01
Coefficient B-2.56484e+03
Coefficient C-4.69930e+01
ReferenceOsborn and Douslin, 1966
Temperature range, min.283.84
Temperature range, max.358.94
Pvap 19.92 kPa 283.84 Calculated Property
Pvap 28.79 kPa 292.18 Calculated Property
Pvap 40.63 kPa 300.53 Calculated Property
Pvap 56.08 kPa 308.87 Calculated Property
Pvap 75.88 kPa 317.22 Calculated Property
Pvap 100.83 kPa 325.56 Calculated Property
Pvap 131.80 kPa 333.91 Calculated Property
Pvap 169.68 kPa 342.25 Calculated Property
Pvap 215.43 kPa 350.60 Calculated Property
Pvap 270.06 kPa 358.94 Calculated Property
Property Value Unit Temperature (K) Source
ρl [960.39; 486.68] kg/m3 [142.61; 497.30] 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 A8.32436e+01
Coefficient B2.77620e-01
Coefficient C5.17000e+02
Coefficient D2.97810e-01
CommentChemSep eq 105, LiquidDensity
Temperature range, min.142.61
Temperature range, max.497.30
ρl 960.39 kg/m3 142.61 Calculated Property
ρl 924.64 kg/m3 182.02 Calculated Property
ρl 887.32 kg/m3 221.43 Calculated Property
ρl 848.05 kg/m3 260.84 Calculated Property
ρl 806.32 kg/m3 300.25 Calculated Property
ρl 761.35 kg/m3 339.66 Calculated Property
ρl 711.87 kg/m3 379.07 Calculated Property
ρl 655.54 kg/m3 418.48 Calculated Property
ρl 587.03 kg/m3 457.89 Calculated Property
ρl 486.68 kg/m3 497.30 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.04; 2.48e-05] N/m [142.61; 514.00] 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-1.11776e-02
Coefficient B2.66333e+01
Coefficient C-3.05349e+00
Coefficient D3.31969e-04
Coefficient E-6.28530e-06
CommentChemSep eq 16, SurfaceTension, ChemSep Tmax 517.0001 K
Temperature range, min.142.61
Temperature range, max.514.00
γ 0.04 N/m 142.61 Calculated Property
γ 0.04 N/m 183.88 Calculated Property
γ 0.03 N/m 225.14 Calculated Property
γ 0.03 N/m 266.41 Calculated Property
γ 0.02 N/m 307.67 Calculated Property
γ 0.02 N/m 348.94 Calculated Property
γ 0.01 N/m 390.21 Calculated Property
γ 0.01 N/m 431.47 Calculated Property
γ 0.00 N/m 472.74 Calculated Property
γ 2.48e-05 N/m 514.00 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.00; 0.09] W/m×K [142.64; 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 A1.83670e-04
Coefficient B9.62700e-01
Coefficient C6.46010e+02
Coefficient D0.00000e+00
CommentChemSep eq 102, VaporThermalConductivity
Temperature range, min.142.64
Temperature range, max.1000.00
λgas 0.00 W/m×K 142.64 Calculated Property
λgas 0.01 W/m×K 237.90 Calculated Property
λgas 0.02 W/m×K 333.16 Calculated Property
λgas 0.03 W/m×K 428.43 Calculated Property
λgas 0.03 W/m×K 523.69 Calculated Property
λgas 0.04 W/m×K 618.95 Calculated Property
λgas 0.05 W/m×K 714.21 Calculated Property
λgas 0.06 W/m×K 809.48 Calculated Property
λgas 0.08 W/m×K 904.74 Calculated Property
λgas 0.09 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.18; 0.12] W/m×K [142.61; 325.71] 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 A1.93460e-02
Coefficient B8.36198e+00
Coefficient C-1.76982e+00
Coefficient D-5.39416e-04
Coefficient E-3.28758e-06
CommentChemSep eq 16, LiquidThermalConductivity
Temperature range, min.142.61
Temperature range, max.325.71
λliquid 0.18 W/m×K 142.61 Calculated Property
λliquid 0.17 W/m×K 162.95 Calculated Property
λliquid 0.16 W/m×K 183.30 Calculated Property
λliquid 0.16 W/m×K 203.64 Calculated Property
λliquid 0.15 W/m×K 223.99 Calculated Property
λliquid 0.15 W/m×K 244.33 Calculated Property
λliquid 0.14 W/m×K 264.68 Calculated Property
λliquid 0.13 W/m×K 285.02 Calculated Property
λliquid 0.13 W/m×K 305.37 Calculated Property
λliquid 0.12 W/m×K 325.71 Calculated Property

Similar Compounds

1,2-Propanedithiol. 2-Propanethiol, 2-methyl-. 2-Butanethiol. Propane, 2-(methylthio)-. METHYL ISOPROPYL DISULPHIDE. Propyl mercaptan. Disulfide, bis(1-methylethyl). 2-methyl-3,4,5-trithiahexane. 2-Mercapto-1-propanol. Diisopropyl sulfide. 2-methyl-3,4,5-trithiaheptane. Disulfide, ethyl 1-methylethyl. Thiirane, methyl-. 2-Mercaptopropanoic acid. 2,3-Butanedithiol.

Find more compounds similar to 2-Propanethiol.

Mixtures

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