Chemical Properties of Heptane, 1-(methylthio)- (CAS 20291-61-6)

Heptane, 1-(methylthio)-

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InChI
InChI=1S/C8H18S/c1-3-4-5-6-7-8-9-2/h3-8H2,1-2H3
InChI Key
FJDWJOQOEZRIDJ-UHFFFAOYSA-N
Formula
C8H18S
SMILES
CCCCCCCSC
Molecular Weight1
146.29
CAS
20291-61-6
Other Names
  • 2-Thianonane
  • Heptyl methyl sulfide
  • Methyl heptyl sulfide
  • Methyl n-heptyl sulfide
  • Sulfide, heptyl methyl
  • n-Heptyl methyl sulfide
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Physical Properties

Property Value Unit Source
Δf 49.60 kJ/mol Joback Calculated Property
Δfgas -166.58 kJ/mol Joback Calculated Property
Δfus 20.61 kJ/mol Joback Calculated Property
Δvap 40.22 kJ/mol Joback Calculated Property
log10WS -3.05 Crippen Calculated Property
logPoct/wat 3.320 Crippen Calculated Property
McVol 139.930 ml/mol McGowan Calculated Property
Pc 2579.34 kPa Joback Calculated Property
Inp [1117.00; 1117.00]   Show Hide
Inp 1117.00 NIST
Inp 1117.00 NIST
Inp 1117.00 NIST
I [1326.80; 1352.00]   Show Hide
I 1332.10 NIST
I 1326.80 NIST
I 1352.00 NIST
I 1332.10 NIST
Tboil 451.22 K Joback Calculated Property
Tc 636.81 K Joback Calculated Property
Tfus 214.32 K Joback Calculated Property
Vc 0.537 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [286.95; 362.10] J/mol×K [451.22; 636.81] Show Hide
Cp,gas 286.95 J/mol×K 451.22 Joback Calculated Property
Cp,gas 300.83 J/mol×K 482.15 Joback Calculated Property
Cp,gas 314.15 J/mol×K 513.08 Joback Calculated Property
Cp,gas 326.93 J/mol×K 544.01 Joback Calculated Property
Cp,gas 339.17 J/mol×K 574.95 Joback Calculated Property
Cp,gas 350.89 J/mol×K 605.88 Joback Calculated Property
Cp,gas 362.10 J/mol×K 636.81 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [345.36; 473.44] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.61321e+01
Coefficient B-4.37083e+03
Coefficient C-6.95030e+01
Temperature range, min.345.36
Temperature range, max.473.44
Pvap 1.33 kPa 345.36 Calculated Property
Pvap 2.90 kPa 359.59 Calculated Property
Pvap 5.87 kPa 373.82 Calculated Property
Pvap 11.15 kPa 388.05 Calculated Property
Pvap 20.04 kPa 402.28 Calculated Property
Pvap 34.35 kPa 416.52 Calculated Property
Pvap 56.41 kPa 430.75 Calculated Property
Pvap 89.24 kPa 444.98 Calculated Property
Pvap 136.51 kPa 459.21 Calculated Property
Pvap 202.66 kPa 473.44 Calculated Property

Similar Compounds

Decyl methyl sulfide. Methyl n-octyl sulfide. Octadecane, 1-(methylthio)-. Methyl n-nonyl sulphide. 2-Thiatridecane. n-Dodecylmethyl sulfide. Hexane, 1-(methylthio)-. Heptane, 1,1'-thiobis-. 6-Thiatridecane. di-n-Nonyl sulfide. Dodecane, 1,1'-thiobis-. Octane, 1,1'-thiobis-. 5-Thiadodecane. Decyl sulfide. 6-Thiatetradecane.

Find more compounds similar to Heptane, 1-(methylthio)-.

Sources

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