Chemical Properties of Propyl sulfide (CAS 111-47-7)

Propyl sulfide

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InChI
InChI=1S/C6H14S/c1-3-5-7-6-4-2/h3-6H2,1-2H3
InChI Key
ZERULLAPCVRMCO-UHFFFAOYSA-N
Formula
C6H14S
SMILES
CCCSCCC
Molecular Weight1
118.24
CAS
111-47-7
Other Names
  • (n-C3H7)2S
  • 1,1'-Thiobispropane
  • 4-THIAHEPTANE
  • DIPROPYL THIOETHER
  • Di-n-propyl thioether
  • Dipropyl sulfide
  • Dipropyl sulphide
  • NSC 78429
  • Propane, 1,1'-thiobis-
  • Propyl monosulfide
  • Sulfide, n-propyl-
  • di-n-Propyl sulfide
  • di-n-propylsulfide
  • n-Propyl sulfide
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Physical Properties

Property Value Unit Source
PAff 864.70 kJ/mol NIST
BasG 834.90 kJ/mol NIST
Δcliquid -4794.28 ± 0.75 kJ/mol NIST
Δf 32.76 kJ/mol Joback Calculated Property
Δfgas -125.20 kJ/mol NIST
Δfliquid -169.80 ± 0.88 kJ/mol NIST
Δfus 15.43 kJ/mol Joback Calculated Property
Δvap [39.50; 44.70] kJ/mol Show Hide
Δvap 44.23 kJ/mol NIST
Δvap 44.20 kJ/mol NIST
Δvap 44.50 kJ/mol NIST
Δvap Outlier 39.50 kJ/mol NIST
Δvap 44.70 ± 0.80 kJ/mol NIST
Δvap 44.60 kJ/mol NIST
IE [8.30; 10.90] eV Show Hide
IE 8.45 ± 0.05 eV NIST
IE 10.90 eV NIST
IE 8.30 ± 0.02 eV NIST
IE 8.34 eV NIST
IE 8.34 eV NIST
log10WS [-2.58; -2.58]   Show Hide
log10WS -2.58 Aq. Sol...
log10WS -2.58 Estimat...
logPoct/wat 2.540 Crippen Calculated Property
McVol 111.750 ml/mol McGowan Calculated Property
Pc 3166.83 kPa Joback Calculated Property
Inp [872.00; 897.00]   Show Hide
Inp 891.20 NIST
Inp 896.70 NIST
Inp 884.80 NIST
Inp 887.40 NIST
Inp 888.00 NIST
Inp 887.00 NIST
Inp 888.00 NIST
Inp 888.00 NIST
Inp 890.00 NIST
Inp 882.00 NIST
Inp 878.00 NIST
Inp 882.00 NIST
Inp 878.00 NIST
Inp 890.00 NIST
Inp 877.00 NIST
Inp 888.00 NIST
Inp 879.00 NIST
Inp 888.00 NIST
Inp 878.00 NIST
Inp 894.00 NIST
Inp 891.00 NIST
Inp 897.00 NIST
Inp 885.00 NIST
Inp 887.00 NIST
Inp 894.00 NIST
Inp Outlier 872.00 NIST
Inp 883.00 NIST
Inp 878.00 NIST
Inp 877.00 NIST
Inp 890.00 NIST
Inp 883.00 NIST
Inp 891.20 NIST
Inp 887.00 NIST
Inp 878.00 NIST
Inp 888.00 NIST
I [1069.00; 1101.00]   Show Hide
I 1080.50 NIST
I 1091.00 NIST
I 1101.00 NIST
I 1093.00 NIST
I 1069.00 NIST
I 1069.00 NIST
liquid 338.28 J/mol×K NIST
Tboil [412.00; 416.00] K Show Hide
Tboil 415.60 K NIST
Tboil 416.00 K NIST
Tboil 415.85 ± 0.20 K NIST
Tboil 416.00 ± 0.40 K NIST
Tboil 414.70 ± 0.50 K NIST
Tboil 414.65 ± 0.50 K NIST
Tboil 415.60 ± 0.50 K NIST
Tboil 415.00 ± 2.00 K NIST
Tboil Outlier 412.00 ± 2.00 K NIST
Tboil 414.00 ± 0.50 K NIST
Tboil 414.00 ± 0.50 K NIST
Tc 594.29 K Joback Calculated Property
Tfus 170.65 K Aq. Sol...
Ttriple [170.43; 170.44] K Show Hide
Ttriple 170.43 ± 0.05 K NIST
Ttriple 170.44 ± 0.03 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
Cp,liquid [225.48; 237.90] J/mol×K [298.15; 300.00] Show Hide
Cp,liquid 225.48 J/mol×K 298.15 NIST
Cp,liquid 237.90 J/mol×K 300.00 NIST
ΔfusH [12.13; 12.14] kJ/mol [170.40; 170.44] Show Hide
ΔfusH 12.13 kJ/mol 170.40 NIST
ΔfusH 12.14 kJ/mol 170.40 NIST
ΔfusH 12.14 kJ/mol 170.44 NIST
ΔvapH [36.60; 42.90] kJ/mol [362.00; 416.00] Show Hide
ΔvapH 42.90 kJ/mol 362.00 NIST
ΔvapH 40.60 kJ/mol 390.00 NIST
ΔvapH 36.60 kJ/mol 416.00 NIST
ΔfusS 71.24 J/mol×K 170.44 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [308.78; 440.91] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.48928e+01
Coefficient B-3.68038e+03
Coefficient C-5.67920e+01
Temperature range, min.308.78
Temperature range, max.440.91
Pvap 1.33 kPa 308.78 Calculated Property
Pvap 2.98 kPa 323.46 Calculated Property
Pvap 6.12 kPa 338.14 Calculated Property
Pvap 11.71 kPa 352.82 Calculated Property
Pvap 21.07 kPa 367.50 Calculated Property
Pvap 35.95 kPa 382.19 Calculated Property
Pvap 58.59 kPa 396.87 Calculated Property
Pvap 91.69 kPa 411.55 Calculated Property
Pvap 138.47 kPa 426.23 Calculated Property
Pvap 202.63 kPa 440.91 Calculated Property
Pvap [0.13; 3207.58] kPa [270.15; 609.73] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.02676e+02
Coefficient B-8.82408e+03
Coefficient C-1.29840e+01
Coefficient D8.43544e-06
Temperature range, min.270.15
Temperature range, max.609.73
Pvap 0.13 kPa 270.15 Calculated Property
Pvap 1.52 kPa 307.88 Calculated Property
Pvap 9.55 kPa 345.61 Calculated Property
Pvap 38.70 kPa 383.34 Calculated Property
Pvap 116.24 kPa 421.07 Calculated Property
Pvap 282.82 kPa 458.81 Calculated Property
Pvap 592.42 kPa 496.54 Calculated Property
Pvap 1114.75 kPa 534.27 Calculated Property
Pvap 1942.89 kPa 572.00 Calculated Property
Pvap 3207.58 kPa 609.73 Calculated Property

Similar Compounds

Sulfide, ethyl propyl. 2,6-dithianonane. 2-[Propylthio]ethanal. Propane, 1-(methylthio)-. Propane, 2-methyl-1-(propylthio)-. 4-thia-1-heptyne. Propane, 1,3-bis(ethylthio)-. Propane, 1-[(1-methylethyl)thio]-. 2,6-dithiaoctane. 2,5-dithiaoctane. 3,6-dithianonane. Dipropyl sulfoxide. Butane, 1-(propylthio)-. 3-Thia-1-hexanethiol. Butyl sulfide.

Find more compounds similar to Propyl sulfide.

Sources

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