Chemical Properties of Hexane, 1-(methylthio)- (CAS 20291-60-5)

Hexane, 1-(methylthio)-

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InChI
InChI=1S/C7H16S/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3
InChI Key
LZRXQHHKXDXOIC-UHFFFAOYSA-N
Formula
C7H16S
SMILES
CCCCCCSC
Molecular Weight1
132.27
CAS
20291-60-5
Other Names
  • 1-(Methylsulfanyl)hexane
  • 1-(Methylthio)-hexane
  • 2-Thiaoctane
  • Hexyl methyl sulfide
  • Sulfide, hexyl methyl
  • n-Hexyl methyl sulfide
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Physical Properties

Property Value Unit Source
Δf 41.18 kJ/mol Joback Calculated Property
Δfgas -145.94 kJ/mol Joback Calculated Property
Δfus 18.02 kJ/mol Joback Calculated Property
Δvap 37.99 kJ/mol Joback Calculated Property
log10WS -2.64 Crippen Calculated Property
logPoct/wat 2.930 Crippen Calculated Property
McVol 125.840 ml/mol McGowan Calculated Property
Pc 2850.52 kPa Joback Calculated Property
Inp [1004.00; 1016.00]   Show Hide
Inp 1016.00 NIST
Inp 1016.00 NIST
Inp 1004.00 NIST
Inp 1004.00 NIST
Inp 1004.00 NIST
I [1227.00; 1251.00]   Show Hide
I 1232.10 NIST
I 1227.00 NIST
I 1251.00 NIST
I 1232.10 NIST
Tboil 428.34 K Joback Calculated Property
Tc 615.63 K Joback Calculated Property
Tfus 206.35 ± 0.30 K NIST
Vc 0.481 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [245.59; 314.75] J/mol×K [428.34; 615.63] Show Hide
Cp,gas 245.59 J/mol×K 428.34 Joback Calculated Property
Cp,gas 258.33 J/mol×K 459.56 Joback Calculated Property
Cp,gas 270.58 J/mol×K 490.77 Joback Calculated Property
Cp,gas 282.33 J/mol×K 521.99 Joback Calculated Property
Cp,gas 293.61 J/mol×K 553.20 Joback Calculated Property
Cp,gas 304.41 J/mol×K 584.42 Joback Calculated Property
Cp,gas 314.75 J/mol×K 615.63 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [327.94; 450.71] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.61352e+01
Coefficient B-4.19159e+03
Coefficient C-6.34510e+01
Temperature range, min.327.94
Temperature range, max.450.71
Pvap 1.33 kPa 327.94 Calculated Property
Pvap 2.90 kPa 341.58 Calculated Property
Pvap 5.87 kPa 355.22 Calculated Property
Pvap 11.14 kPa 368.86 Calculated Property
Pvap 20.04 kPa 382.50 Calculated Property
Pvap 34.34 kPa 396.15 Calculated Property
Pvap 56.40 kPa 409.79 Calculated Property
Pvap 89.22 kPa 423.43 Calculated Property
Pvap 136.50 kPa 437.07 Calculated Property
Pvap 202.65 kPa 450.71 Calculated Property

Similar Compounds

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

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

Sources

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