Chemical Properties of Butane, 1-(ethylthio)- (CAS 638-46-0)

Butane, 1-(ethylthio)-

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InChI
InChI=1S/C6H14S/c1-3-5-6-7-4-2/h3-6H2,1-2H3
InChI Key
XJIRSLHMKBUGMR-UHFFFAOYSA-N
Formula
C6H14S
SMILES
CCCCSCC
Molecular Weight1
118.24
CAS
638-46-0
Other Names
  • 1-(Ethylthio)butane
  • 3-Thiaheptane
  • Butyl ethyl sulfide
  • Ethyl butyl sulfide
  • Ethyl butyl sulphide
  • Ethyl n-butyl sulfide
  • Sulfide, butyl ethyl
  • n-Butylethylsulfide
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Physical Properties

Property Value Unit Source
Δcliquid -4791.80 ± 1.90 kJ/mol NIST
Δf 32.76 kJ/mol Joback Calculated Property
Δfgas -127.00 ± 3.00 kJ/mol NIST
Δfliquid -172.00 ± 2.00 kJ/mol NIST
Δfus 15.43 kJ/mol Joback Calculated Property
Δvap [44.50; 45.00] kJ/mol Show Hide
Δvap 44.50 kJ/mol NIST
Δvap 44.90 kJ/mol NIST
Δvap 44.60 ± 0.80 kJ/mol NIST
Δvap 45.00 ± 1.00 kJ/mol NIST
Δvap 45.00 kJ/mol NIST
log10WS -2.22 Crippen Calculated Property
logPoct/wat 2.540 Crippen Calculated Property
McVol 111.750 ml/mol McGowan Calculated Property
Pc 3166.83 kPa Joback Calculated Property
Inp [892.00; 906.00]   Show Hide
Inp 893.00 NIST
Inp 893.00 NIST
Inp 893.00 NIST
Inp 896.00 NIST
Inp 901.00 NIST
Inp Outlier 906.00 NIST
Inp 892.00 NIST
Inp 893.00 NIST
I [1090.00; 1113.00]   Show Hide
I 1096.10 NIST
I 1091.10 NIST
I Outlier 1113.00 NIST
I 1090.00 NIST
I 1090.00 NIST
I 1096.10 NIST
Tboil [417.00; 417.60] K Show Hide
Tboil 417.40 K NIST
Tboil 417.00 K NIST
Tboil 417.60 ± 0.40 K NIST
Tc 594.29 K Joback Calculated Property
Tfus 178.02 ± 0.10 K NIST
Vc 0.425 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [206.46; 268.89] J/mol×K [405.46; 594.29] Show Hide
Cp,gas 206.46 J/mol×K 405.46 Joback Calculated Property
Cp,gas 217.94 J/mol×K 436.93 Joback Calculated Property
Cp,gas 228.97 J/mol×K 468.40 Joback Calculated Property
Cp,gas 239.58 J/mol×K 499.87 Joback Calculated Property
Cp,gas 249.77 J/mol×K 531.34 Joback Calculated Property
Cp,gas 259.54 J/mol×K 562.82 Joback Calculated Property
Cp,gas 268.89 J/mol×K 594.29 Joback Calculated Property
ΔfusH [12.39; 12.39] kJ/mol [178.10; 178.10] Show Hide
ΔfusH 12.39 kJ/mol 178.10 NIST
ΔfusH 12.39 kJ/mol 178.10 NIST
ΔvapH [40.70; 43.70] kJ/mol [332.00; 389.00] Show Hide
ΔvapH 43.50 kJ/mol 332.00 NIST
ΔvapH 43.70 kJ/mol 379.50 NIST
ΔvapH 40.70 kJ/mol 389.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [309.93; 443.71] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.48028e+01
Coefficient B-3.66853e+03
Coefficient C-5.71900e+01
Temperature range, min.309.93
Temperature range, max.443.71
Pvap 1.33 kPa 309.93 Calculated Property
Pvap 2.99 kPa 324.79 Calculated Property
Pvap 6.14 kPa 339.66 Calculated Property
Pvap 11.76 kPa 354.52 Calculated Property
Pvap 21.16 kPa 369.39 Calculated Property
Pvap 36.09 kPa 384.25 Calculated Property
Pvap 58.78 kPa 399.12 Calculated Property
Pvap 91.90 kPa 413.98 Calculated Property
Pvap 138.65 kPa 428.85 Calculated Property
Pvap 202.67 kPa 443.71 Calculated Property

Similar Compounds

Butyl sulfide. Butane, 1-(propylthio)-. Butane, 1,4-bis(ethylthio)-. 2,7-Dithianonane. Butane, 1-(methylthio)-. Butane, 1-[(1-methylethyl)thio]-. Pentane, 1-(ethylthio)-. 2-[Butylthio]ethanal. 3,6-dithiadecane. 4-thia-1-octyne. Butyl isobutyl sulfide. 5-Thiadecane. Pentane, 1,1'-thiobis-. Pentane, 1-(propylthio)-. Hexane, 1-(ethylthio)-.

Find more compounds similar to Butane, 1-(ethylthio)-.

Sources

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