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

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

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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
Δcliquid -4127.20 ± 0.63 kJ/mol NIST
Δf 27.18 kJ/mol Joback Calculated Property
Δfgas -121.00 ± 0.75 kJ/mol NIST
Δfliquid -156.90 ± 0.75 kJ/mol NIST
Δfus 5.42 kJ/mol Joback Calculated Property
Δvap [34.20; 35.90] kJ/mol Show Hide
Δvap 35.90 kJ/mol NIST
Δvap 34.20 kJ/mol NIST
Δvap 35.90 kJ/mol NIST
Δvap 35.80 kJ/mol NIST
Δvap 35.90 kJ/mol NIST
IE 8.38 ± 0.05 eV NIST
log10WS -1.91 Crippen Calculated Property
logPoct/wat 2.148 Crippen Calculated Property
McVol 97.660 ml/mol McGowan Calculated Property
Pc 3620.24 kPa Joback Calculated Property
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
liquid 276.14 J/mol×K NIST
Tboil [372.05; 375.00] K Show Hide
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 K NIST
Tfus [190.85; 190.90] K Show Hide
Tfus 190.85 ± 0.20 K NIST
Tfus 190.90 ± 0.30 K NIST
Ttriple [184.86; 190.84] K Show Hide
Ttriple 190.84 ± 0.02 K NIST
Ttriple 184.86 ± 0.06 K NIST
Vc 0.358 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [171.13; 231.97] J/mol×K [379.35; 582.94] Show Hide
Cp,gas 171.13 J/mol×K 379.35 Joback Calculated Property
Cp,gas 182.72 J/mol×K 413.28 Joback Calculated Property
Cp,gas 193.70 J/mol×K 447.21 Joback Calculated Property
Cp,gas 204.10 J/mol×K 481.15 Joback Calculated Property
Cp,gas 213.93 J/mol×K 515.08 Joback Calculated Property
Cp,gas 223.21 J/mol×K 549.01 Joback Calculated Property
Cp,gas 231.97 J/mol×K 582.94 Joback Calculated Property
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
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 J/mol×K 190.84 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [269.89; 399.18] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
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 [9.28; 269.57] kPa [306.15; 410.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.81918e+01
Coefficient B-6.79559e+03
Coefficient C-9.50787e+00
Coefficient D7.00157e-06
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

Similar Compounds

tert-Butyl methyl sulfoxide. Methane, bis(tert-butylthio)-. Propane, 2-(ethylthio)-2-methyl-. 2,2-Dimethylthiirane. Di-tert-butyl sulfide. 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-tert-butyl 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)-.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.