Chemical Properties of Butyl sulfide (CAS 544-40-1)

Butyl sulfide

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InChI
InChI=1S/C8H18S/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
InChI Key
HTIRHQRTDBPHNZ-UHFFFAOYSA-N
Formula
C8H18S
SMILES
CCCCSCCCC
Molecular Weight1
146.29
CAS
544-40-1
Other Names
  • (n-C4H9)2S
  • 1,1'-THIOBISBUTANE
  • 5-THIANONANE
  • BUTYLTHIOBUTANE
  • Butane, 1,1'-thiobis-
  • Butyl monosulfide
  • Di-n-butyl sulfide
  • Dibutyl sulfide
  • Dibutyl sulphide
  • Dibutyl thioether
  • NSC 8460
  • Sulfide, n-butyl-
  • Thianonane-5
  • Thiononane-5
  • n-Butyl sulfide
  • n-Dibutyl sulfide
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Physical Properties

Property Value Unit Source
PAff 871.80 kJ/mol NIST
BasG 842.10 kJ/mol NIST
Δcliquid [-6102.03; -6102.00] kJ/mol Show Hide
Δcliquid -6102.03 kJ/mol NIST
Δcliquid -6102.00 ± 1.30 kJ/mol NIST
Δf 49.60 kJ/mol Joback Calculated Property
Δfgas [-167.40; -167.20] kJ/mol Show Hide
Δfgas -167.40 kJ/mol NIST
Δfgas -167.20 kJ/mol NIST
Δfliquid [-220.70; -220.50] kJ/mol Show Hide
Δfliquid -220.70 ± 1.90 kJ/mol NIST
Δfliquid -220.50 ± 1.50 kJ/mol NIST
Δfus 20.61 kJ/mol Joback Calculated Property
Δvap [40.30; 54.20] kJ/mol Show Hide
Δvap 52.96 kJ/mol NIST
Δvap 40.30 kJ/mol NIST
Δvap 53.00 kJ/mol NIST
Δvap 54.20 ± 0.80 kJ/mol NIST
Δvap 53.35 kJ/mol NIST
IE [8.20; 8.40] eV Show Hide
IE 8.20 eV NIST
IE 8.40 ± 0.05 eV NIST
IE 8.22 eV NIST
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 [1050.00; 1092.00]   Show Hide
Inp 1084.40 NIST
Inp 1088.50 NIST
Inp 1078.10 NIST
Inp 1081.30 NIST
Inp 1081.00 NIST
Inp 1059.00 NIST
Inp 1077.00 NIST
Inp 1081.00 NIST
Inp 1082.00 NIST
Inp 1084.00 NIST
Inp 1070.00 NIST
Inp 1064.00 NIST
Inp 1070.00 NIST
Inp 1064.00 NIST
Inp 1084.00 NIST
Inp 1077.00 NIST
Inp 1081.00 NIST
Inp 1081.00 NIST
Inp 1082.00 NIST
Inp 1086.00 NIST
Inp 1092.00 NIST
Inp 1060.00 NIST
Inp 1062.00 NIST
Inp 1056.00 NIST
Inp 1057.00 NIST
Inp 1058.00 NIST
Inp 1053.00 NIST
Inp 1056.00 NIST
Inp 1060.00 NIST
Inp 1055.00 NIST
Inp 1057.00 NIST
Inp 1079.00 NIST
Inp 1072.00 NIST
Inp 1075.00 NIST
Inp 1060.00 NIST
Inp 1055.00 NIST
Inp 1057.00 NIST
Inp 1066.00 NIST
Inp 1060.00 NIST
Inp 1062.00 NIST
Inp 1056.00 NIST
Inp 1050.00 NIST
Inp 1053.00 NIST
Inp 1061.00 NIST
Inp 1056.00 NIST
Inp 1058.00 NIST
Inp 1057.00 NIST
Inp 1084.00 NIST
Inp 1088.00 NIST
Inp 1078.00 NIST
Inp 1081.00 NIST
Inp 1073.00 NIST
Inp 1082.00 NIST
Inp 1073.00 NIST
Inp 1057.00 NIST
Inp 1073.00 NIST
Inp 1084.40 NIST
Inp 1059.00 NIST
Inp 1070.00 NIST
Inp 1077.00 NIST
Inp 1092.00 NIST
Inp 1058.00 NIST
Inp 1057.00 NIST
Inp 1055.00 NIST
Inp 1056.00 NIST
I [1254.00; 1289.00]   Show Hide
I 1270.60 NIST
I 1256.60 NIST
I 1286.00 NIST
I 1289.00 NIST
I 1262.00 NIST
I 1270.00 NIST
I 1254.00 NIST
I 1270.00 NIST
I 1256.00 NIST
I 1270.00 NIST
liquid 405.09 J/mol×K NIST
Tboil [458.20; 461.95] K Show Hide
Tboil 461.70 K NIST
Tboil 461.95 ± 0.30 K NIST
Tboil 458.20 ± 0.60 K NIST
Tc 636.81 K Joback Calculated Property
Tfus [198.12; 221.85] K Show Hide
Tfus 221.85 K KDB
Tfus 198.12 ± 0.02 K NIST
Ttriple [198.13; 198.13] K Show Hide
Ttriple 198.13 ± 0.04 K NIST
Ttriple 198.13 ± 0.03 K NIST
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
Cp,liquid 284.34 J/mol×K 298.15 NIST
ΔfusH [19.41; 19.43] kJ/mol [198.10; 198.13] Show Hide
ΔfusH 19.41 kJ/mol 198.10 NIST
ΔfusH 19.41 kJ/mol 198.10 NIST
ΔfusH 19.43 kJ/mol 198.13 NIST
ΔvapH [44.80; 46.50] kJ/mol [338.50; 430.00] Show Hide
ΔvapH 44.80 kJ/mol 338.50 NIST
ΔvapH 46.50 kJ/mol 430.00 NIST
ΔfusS 98.05 J/mol×K 198.13 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [340.12; 492.01] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.43227e+01
Coefficient B-3.82370e+03
Coefficient C-6.76820e+01
Temperature range, min.340.12
Temperature range, max.492.01
Pvap 1.33 kPa 340.12 Calculated Property
Pvap 3.02 kPa 357.00 Calculated Property
Pvap 6.26 kPa 373.87 Calculated Property
Pvap 12.03 kPa 390.75 Calculated Property
Pvap 21.64 kPa 407.63 Calculated Property
Pvap 36.84 kPa 424.50 Calculated Property
Pvap 59.78 kPa 441.38 Calculated Property
Pvap 93.02 kPa 458.26 Calculated Property
Pvap 139.53 kPa 475.13 Calculated Property
Pvap 202.66 kPa 492.01 Calculated Property
Pvap [0.12; 2648.39] kPa [303.15; 650.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A2.52296e+02
Coefficient B-1.67842e+04
Coefficient C-3.51983e+01
Coefficient D2.22154e-05
Temperature range, min.303.15
Temperature range, max.650.00
Pvap 0.12 kPa 303.15 Calculated Property
Pvap 1.53 kPa 341.69 Calculated Property
Pvap 9.59 kPa 380.23 Calculated Property
Pvap 36.91 kPa 418.77 Calculated Property
Pvap 103.29 kPa 457.31 Calculated Property
Pvap 234.69 kPa 495.84 Calculated Property
Pvap 467.25 kPa 534.38 Calculated Property
Pvap 859.69 kPa 572.92 Calculated Property
Pvap 1518.64 kPa 611.46 Calculated Property
Pvap 2648.39 kPa 650.00 Calculated Property

Similar Compounds

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

Find more compounds similar to Butyl sulfide.

Mixtures

Sources

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