Chemical Properties of Methyl n-octyl sulfide (CAS 3698-95-1)

Methyl n-octyl sulfide

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InChI
InChI=1S/C9H20S/c1-3-4-5-6-7-8-9-10-2/h3-9H2,1-2H3
InChI Key
AHCJTMBRROLNHV-UHFFFAOYSA-N
Formula
C9H20S
SMILES
CCCCCCCCSC
Molecular Weight1
160.32
CAS
3698-95-1
Other Names
  • 2-Thiadecane
  • Octane, 1-(methylthio)-
  • Octyl methyl sulfide
  • methyl octyl sulphide
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Physical Properties

Property Value Unit Source
Δf 58.02 kJ/mol Joback Calculated Property
Δfgas -187.22 kJ/mol Joback Calculated Property
Δfus 23.20 kJ/mol Joback Calculated Property
Δvap 42.45 kJ/mol Joback Calculated Property
log10WS -3.47 Crippen Calculated Property
logPoct/wat 3.710 Crippen Calculated Property
McVol 154.020 ml/mol McGowan Calculated Property
Pc 2345.09 kPa Joback Calculated Property
Inp [1217.00; 1217.00]   Show Hide
Inp 1217.00 NIST
Inp 1217.00 NIST
I [1426.30; 1453.00]   Show Hide
I 1431.70 NIST
I 1426.30 NIST
I 1453.00 NIST
Tboil 474.10 K Joback Calculated Property
Tc 657.88 K Joback Calculated Property
Tfus 225.59 K Joback Calculated Property
Vc 0.594 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [330.44; 410.88] J/mol×K [474.10; 657.88] Show Hide
Cp,gas 330.44 J/mol×K 474.10 Joback Calculated Property
Cp,gas 345.32 J/mol×K 504.73 Joback Calculated Property
Cp,gas 359.59 J/mol×K 535.36 Joback Calculated Property
Cp,gas 373.27 J/mol×K 565.99 Joback Calculated Property
Cp,gas 386.37 J/mol×K 596.62 Joback Calculated Property
Cp,gas 398.90 J/mol×K 627.25 Joback Calculated Property
Cp,gas 410.88 J/mol×K 657.88 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [368.92; 492.33] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.71675e+01
Coefficient B-4.91594e+03
Coefficient C-7.76900e+01
Temperature range, min.368.92
Temperature range, max.492.33
Pvap 1.33 kPa 368.92 Calculated Property
Pvap 2.85 kPa 382.63 Calculated Property
Pvap 5.70 kPa 396.34 Calculated Property
Pvap 10.77 kPa 410.06 Calculated Property
Pvap 19.35 kPa 423.77 Calculated Property
Pvap 33.25 kPa 437.48 Calculated Property
Pvap 54.92 kPa 451.19 Calculated Property
Pvap 87.52 kPa 464.91 Calculated Property
Pvap 135.11 kPa 478.62 Calculated Property
Pvap 202.67 kPa 492.33 Calculated Property

Similar Compounds

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

Find more compounds similar to Methyl n-octyl sulfide.

Sources

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