Chemical Properties of Propane, 2-methyl-2-(methylthio)- (CAS 6163-64-0)

Propane, 2-methyl-2-(methylthio)-

InChI
InChI=1S/C5H12S/c1-5(2,3)6-4/h1-4H3
InChI Key
CJFVCTVYZFTORU-UHFFFAOYSA-N
Formula
C5H12S
SMILES
CSC(C)(C)C
Molecular Weight1
104.21
CAS
6163-64-0
Other Names
  • (CH3)3CSCH3
  • 2-Methyl-2-(methylthio)-propane
  • 3,3-Dimethyl-2-thiabutane
  • Methyl t-butyl sulfide
  • Methyl tert-butyl sulfide
  • NSC 97331
  • Sulfide, tert-butyl methyl
  • tert-Butyl methyl sulfide
  • tert-Butyl methyl sulphide
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Physical Properties

Property Value Unit Source
ω 0.1075 ChemSep v8.3 pure component data Compiled value
ΔcH°liquid -4127.20 ± 0.63 kJ/mol NIST
μ 1.56 debye ChemSep v8.3 pure component data Compiled value
ΔfG° 7.40 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas [-121.00; -120.90] kJ/mol Show Hide
ΔfH°gas -120.90 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas -121.00 ± 0.75 kJ/mol NIST
ΔfH°liquid -156.90 ± 0.75 kJ/mol NIST
ΔfusH° 5.42 kJ/mol Joback Calculated Property
ΔvapH° [34.20; 35.90] kJ/mol Show Hide
ΔvapH° 35.90 kJ/mol NIST
ΔvapH° Outlier 34.20 kJ/mol NIST
ΔvapH° 35.90 kJ/mol NIST
ΔvapH° 35.80 kJ/mol NIST
ΔvapH° 35.90 kJ/mol NIST
ΔvapH° 35.80 kJ/mol NIST
ΔvapH° 35.90 kJ/mol NIST
IE 8.38 ± 0.05 eV NIST
logPoct/wat 2.148 Crippen Calculated Property
McVol 97.660 ml/mol McGowan Calculated Property
Pc 3400.00 kPa ChemSep v8.3 pure component data Compiled value
Ptriple 8.18e-04 kPa ChemSep v8.3 pure component data Compiled value
Inp [710.00; 725.00]   Show Hide
Inp 724.00 NIST
Inp 724.00 NIST
Inp 724.00 NIST
Inp Outlier 710.00 NIST
Inp 725.00 NIST
Inp 724.00 NIST
S°liquid 276.14 J/mol×K NIST
Tboil [372.05; 375.00] K Show Hide
Tboil 372.05 K ChemSep v8.3 pure component data Compiled value
Tboil 374.70 K NIST
Tboil 372.10 K NIST
Tboil 372.05 ± 0.20 K NIST
Tboil 372.10 ± 0.30 K NIST
Tboil 372.20 ± 0.50 K NIST
Tboil 375.00 ± 4.00 K NIST
Tc [569.80; 585.00] K Show Hide
Tc 585.00 K ChemSep v8.3 pure component data Compiled value
Tc 569.80 K NIST
Tfus [190.84; 190.90] K Show Hide
Tfus 190.84 K ChemSep v8.3 pure component data Compiled value
Tfus 190.85 ± 0.20 K NIST
Tfus 190.90 ± 0.30 K NIST
Ttriple [184.86; 190.85] K Show Hide
Ttriple 190.85 K Staveley, Lobo and Calado (1981), triple points Compiled value
Ttriple 190.84 K ChemSep v8.3 pure component data Compiled value
Ttriple 190.84 ± 0.02 K NIST
Ttriple 184.86 ± 0.06 K NIST
Ttriple 190.84 ± 0.02 K NIST
Ttriple 184.86 ± 0.06 K NIST
UQi 3.91 ChemSep v8.3 pure component data Compiled value
URi 4.54 ChemSep v8.3 pure component data Compiled value
Vc 0.370 m3/kmol ChemSep v8.3 pure component data Compiled value
VCOSTALD 0.37 m3/kmol Hankinson and Thomson (1979), COSTALD parameters Compiled value
ωSRK 0.24 Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zc 0.2690000 ChemSep v8.3 pure component data Compiled value
Zra [0.27; 0.27]   Show Hide
Zra 0.27 Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zra 0.27 ChemSep v8.3 pure component data Compiled value

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,liquid 199.95 J/mol×K 298.15 NIST
ΔfusH [8.41; 8.41] kJ/mol [190.80; 190.84] Show Hide
ΔfusH 8.41 kJ/mol 190.80 NIST
ΔfusH 8.41 kJ/mol 190.80 NIST
ΔfusH 8.41 kJ/mol 190.84 NIST
ΔfusH 8.41 kJ/mol 190.84 NIST
ΔvapH [31.47; 36.50] kJ/mol [336.50; 372.10] Show Hide
ΔvapH 36.50 kJ/mol 336.50 NIST
ΔvapH 35.10 kJ/mol 358.00 NIST
ΔvapH 31.47 kJ/mol 372.10 NIST
ΔfusS [44.09; 44.09] J/mol×K [190.84; 190.84] Show Hide
ΔfusS 44.09 J/mol×K 190.84 NIST
ΔfusS 44.09 J/mol×K 190.84 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [134.81; 353.20] J/mol×K [273.15; 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 A8.78620e+01
Coefficient B-5.73150e+02
Coefficient C5.92424e+00
Coefficient D9.79620e-05
Coefficient E-4.80380e-08
Temperature range, min.273.15
Temperature range, max.1500.00
Cp,gas 134.81 J/mol×K 273.15 Calculated Property
Cp,gas 183.12 J/mol×K 409.47 Calculated Property
Cp,gas 223.94 J/mol×K 545.78 Calculated Property
Cp,gas 256.62 J/mol×K 682.10 Calculated Property
Cp,gas 282.65 J/mol×K 818.42 Calculated Property
Cp,gas 303.51 J/mol×K 954.73 Calculated Property
Cp,gas 320.30 J/mol×K 1091.05 Calculated Property
Cp,gas 333.81 J/mol×K 1227.37 Calculated Property
Cp,gas 344.64 J/mol×K 1363.68 Calculated Property
Cp,gas 353.20 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [178.02; 222.36] J/mol×K [189.96; 372.05] 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 A1.41210e+02
Coefficient B1.78650e+02
Coefficient C7.91645e-01
Coefficient D1.13930e-02
Coefficient E-8.05010e-06
Temperature range, min.189.96
Temperature range, max.372.05
Cp,liquid 178.02 J/mol×K 189.96 Calculated Property
Cp,liquid 180.88 J/mol×K 210.19 Calculated Property
Cp,liquid 184.36 J/mol×K 230.42 Calculated Property
Cp,liquid 188.41 J/mol×K 250.66 Calculated Property
Cp,liquid 192.97 J/mol×K 270.89 Calculated Property
Cp,liquid 198.02 J/mol×K 291.12 Calculated Property
Cp,liquid 203.53 J/mol×K 311.35 Calculated Property
Cp,liquid 209.45 J/mol×K 331.59 Calculated Property
Cp,liquid 215.75 J/mol×K 351.82 Calculated Property
Cp,liquid 222.36 J/mol×K 372.05 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0039948; 0.0001960] Pa×s [190.84; 452.00] 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-1.07680e+01
Coefficient B9.96370e+02
Coefficient C4.69640e-03
Coefficient D-1.08650e-08
Coefficient E2.00000e+00
Temperature range, min.190.84
Temperature range, max.452.00
η 0.0039948 Pa×s 190.84 Calculated Property
η 0.0020066 Pa×s 219.86 Calculated Property
η 0.0011835 Pa×s 248.88 Calculated Property
η 0.0007794 Pa×s 277.89 Calculated Property
η 0.0005555 Pa×s 306.91 Calculated Property
η 0.0004197 Pa×s 335.93 Calculated Property
η 0.0003316 Pa×s 364.95 Calculated Property
η 0.0002712 Pa×s 393.96 Calculated Property
η 0.0002280 Pa×s 422.98 Calculated Property
η 0.0001960 Pa×s 452.00 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [42.31; 8.92] kJ/mol [190.84; 570.00] 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 A6.77609e+01
Coefficient B2.15699e+00
Coefficient C-4.00915e+00
Coefficient D3.63034e+00
Coefficient E-1.23641e+00
Critical temperature, Tc (K)5.85000e+02
Temperature range, min.190.84
Temperature range, max.570.00
ΔvapH 42.31 kJ/mol 190.84 Calculated Property
ΔvapH 39.59 kJ/mol 232.97 Calculated Property
ΔvapH 37.15 kJ/mol 275.10 Calculated Property
ΔvapH 34.78 kJ/mol 317.23 Calculated Property
ΔvapH 32.31 kJ/mol 359.36 Calculated Property
ΔvapH 29.55 kJ/mol 401.48 Calculated Property
ΔvapH 26.34 kJ/mol 443.61 Calculated Property
ΔvapH 22.43 kJ/mol 485.74 Calculated Property
ΔvapH 17.30 kJ/mol 527.87 Calculated Property
ΔvapH 8.92 kJ/mol 570.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [269.89; 399.18] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.38760e+01
Coefficient B-2.99505e+03
Coefficient C-4.94790e+01
Temperature range, min.269.89
Temperature range, max.399.18
Pvap 1.33 kPa 269.89 Calculated Property
Pvap 3.06 kPa 284.26 Calculated Property
Pvap 6.39 kPa 298.62 Calculated Property
Pvap 12.30 kPa 312.99 Calculated Property
Pvap 22.14 kPa 327.35 Calculated Property
Pvap 37.61 kPa 341.72 Calculated Property
Pvap 60.80 kPa 356.08 Calculated Property
Pvap 94.14 kPa 370.45 Calculated Property
Pvap 140.40 kPa 384.81 Calculated Property
Pvap 202.64 kPa 399.18 Calculated Property
Pvap [8.18e-04; 3400.00] kPa [190.84; 565.29] 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 A7.75574e+01
Coefficient B-6.78659e+03
Coefficient C-9.39689e+00
Coefficient D6.66828e-06
Coefficient E2.00000e+00
CommentRange stopped where the equation exceeds Pc; ChemSep gives it to 570 K.
Temperature range, min.190.84
Temperature range, max.565.29
Pvap 8.18e-04 kPa 190.84 Calculated Property
Pvap 0.08 kPa 232.45 Calculated Property
Pvap 1.73 kPa 274.05 Calculated Property
Pvap 14.10 kPa 315.66 Calculated Property
Pvap 64.92 kPa 357.26 Calculated Property
Pvap 206.27 kPa 398.87 Calculated Property
Pvap 511.25 kPa 440.48 Calculated Property
Pvap 1068.91 kPa 482.08 Calculated Property
Pvap 1986.22 kPa 523.69 Calculated Property
Pvap 3400.00 kPa 565.29 Calculated Property
Pvap [9.28; 269.57] kPa [306.15; 410.15] 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 A7.81918e+01
Coefficient B-6.79559e+03
Coefficient C-9.50787e+00
Coefficient D7.00157e-06
Coefficient E0.00000e+00
Temperature range, min.306.15
Temperature range, max.410.15
Pvap 9.28 kPa 306.15 Calculated Property
Pvap 15.38 kPa 317.71 Calculated Property
Pvap 24.44 kPa 329.26 Calculated Property
Pvap 37.42 kPa 340.82 Calculated Property
Pvap 55.44 kPa 352.37 Calculated Property
Pvap 79.74 kPa 363.93 Calculated Property
Pvap 111.73 kPa 375.48 Calculated Property
Pvap 152.92 kPa 387.04 Calculated Property
Pvap 204.95 kPa 398.59 Calculated Property
Pvap 269.57 kPa 410.15 Calculated Property
Pvap [9.58; 270.08] kPa [306.86; 410.24] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.37511e+01
Coefficient B-2.90050e+03
Coefficient C-5.44550e+01
ReferenceScott, Good, et al., 1962, 2
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.306.86
Temperature range, max.410.24
Pvap 9.58 kPa 306.86 Calculated Property
Pvap 15.80 kPa 318.35 Calculated Property
Pvap 24.99 kPa 329.83 Calculated Property
Pvap 38.10 kPa 341.32 Calculated Property
Pvap 56.23 kPa 352.81 Calculated Property
Pvap 80.62 kPa 364.29 Calculated Property
Pvap 112.67 kPa 375.78 Calculated Property
Pvap 153.85 kPa 387.27 Calculated Property
Pvap 205.77 kPa 398.75 Calculated Property
Pvap 270.08 kPa 410.24 Calculated Property
Pvap [9.58; 270.08] kPa [306.86; 410.24] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.37511e+01
Coefficient B-2.90050e+03
Coefficient C-5.44550e+01
ReferenceScott, Good, et al., 1962
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.306.86
Temperature range, max.410.24
Pvap 9.58 kPa 306.86 Calculated Property
Pvap 15.80 kPa 318.35 Calculated Property
Pvap 24.99 kPa 329.83 Calculated Property
Pvap 38.10 kPa 341.32 Calculated Property
Pvap 56.23 kPa 352.81 Calculated Property
Pvap 80.62 kPa 364.29 Calculated Property
Pvap 112.67 kPa 375.78 Calculated Property
Pvap 153.85 kPa 387.27 Calculated Property
Pvap 205.77 kPa 398.75 Calculated Property
Pvap 270.08 kPa 410.24 Calculated Property
Property Value Unit Temperature (K) Source
ρl [909.32; 359.37] kg/m3 [190.84; 570.00] 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 A2.63911e-01
Coefficient B1.59670e-02
Coefficient C5.85000e+02
Coefficient D8.06140e-02
Temperature range, min.190.84
Temperature range, max.570.00
ρl 909.32 kg/m3 190.84 Calculated Property
ρl 876.86 kg/m3 232.97 Calculated Property
ρl 841.98 kg/m3 275.10 Calculated Property
ρl 804.10 kg/m3 317.23 Calculated Property
ρl 762.41 kg/m3 359.36 Calculated Property
ρl 715.65 kg/m3 401.48 Calculated Property
ρl 661.69 kg/m3 443.61 Calculated Property
ρl 596.48 kg/m3 485.74 Calculated Property
ρl 510.23 kg/m3 527.87 Calculated Property
ρl 359.37 kg/m3 570.00 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.04; 4.80e-04] N/m [190.84; 570.00] 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-2.55310e-02
Coefficient B-1.78050e+01
Coefficient C-2.27600e+00
Coefficient D-2.21450e-03
Coefficient E-2.45440e-07
Temperature range, min.190.84
Temperature range, max.570.00
γ 0.04 N/m 190.84 Calculated Property
γ 0.03 N/m 232.97 Calculated Property
γ 0.03 N/m 275.10 Calculated Property
γ 0.02 N/m 317.23 Calculated Property
γ 0.02 N/m 359.36 Calculated Property
γ 0.01 N/m 401.48 Calculated Property
γ 0.01 N/m 443.61 Calculated Property
γ 0.01 N/m 485.74 Calculated Property
γ 0.00 N/m 527.87 Calculated Property
γ 4.80e-04 N/m 570.00 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.01; 0.08] W/m×K [190.84; 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 A1.68380e-04
Coefficient B9.57670e-01
Coefficient C5.99310e+02
Coefficient D1.29930e+04
Temperature range, min.190.84
Temperature range, max.1000.00
λgas 0.01 W/m×K 190.84 Calculated Property
λgas 0.01 W/m×K 280.75 Calculated Property
λgas 0.02 W/m×K 370.65 Calculated Property
λgas 0.03 W/m×K 460.56 Calculated Property
λgas 0.03 W/m×K 550.47 Calculated Property
λgas 0.04 W/m×K 640.37 Calculated Property
λgas 0.05 W/m×K 730.28 Calculated Property
λgas 0.06 W/m×K 820.19 Calculated Property
λgas 0.07 W/m×K 910.09 Calculated Property
λgas 0.08 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.15; 0.11] W/m×K [190.84; 372.05] 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-4.93240e-02
Coefficient B-5.47900e+00
Coefficient C-1.35590e+00
Coefficient D-9.17060e-04
Coefficient E-9.50730e-07
Temperature range, min.190.84
Temperature range, max.372.05
λliquid 0.15 W/m×K 190.84 Calculated Property
λliquid 0.15 W/m×K 210.97 Calculated Property
λliquid 0.14 W/m×K 231.11 Calculated Property
λliquid 0.14 W/m×K 251.24 Calculated Property
λliquid 0.13 W/m×K 271.38 Calculated Property
λliquid 0.13 W/m×K 291.51 Calculated Property
λliquid 0.12 W/m×K 311.65 Calculated Property
λliquid 0.12 W/m×K 331.78 Calculated Property
λliquid 0.11 W/m×K 351.92 Calculated Property
λliquid 0.11 W/m×K 372.05 Calculated Property

Similar Compounds

tert-Butyl methyl sulfoxide. Propane, 2,2'-[methylenebis(thio)]bis[2-methyl-. Propane, 2-(ethylthio)-2-methyl-. 2,2-Dimethylthiirane. Propane, 2,2'-thiobis[2-methyl-. 5,5-dimethyl-4-thia-1-hexyne. Propane, 2-methyl-2-[(1-methylethyl)thio]-. Sulfide, t-butyl-2-chloroethyl. Propane, 2-(methylthio)-. ETHANETHIOIC ACID, S-(1,1-DIMETHYLETHYL) ESTER. 4,4-Dimethyl-3-thia-1-pentanethiol. Propane, 2,2-bis(methylthio)-. 2-Propanethiol, 2-methyl-. 2,2-dimethyl-3,5-dithiaheptane. t-Butyl n-propyl sulfide.

Find more compounds similar to Propane, 2-methyl-2-(methylthio)-.

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