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

Propyl sulfide

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
  • Di-n-propyl thioether
  • Dipropyl sulfide
  • Dipropyl sulphide
  • Dipropyl thioether
  • 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
ω 0.3740 ChemSep v8.3 pure component data
PAff 864.70 kJ/mol NIST
BasG 834.90 kJ/mol NIST
ΔcH°liquid -4794.28 ± 0.75 kJ/mol NIST
μ 1.65 debye ChemSep v8.3 pure component data
ΔfG° 21.50 kJ/mol ChemSep v8.3 pure component data
ΔfH°gas [-125.40; -125.20] kJ/mol Show Hide
ΔfH°gas -125.40 kJ/mol ChemSep v8.3 pure component data
ΔfH°gas -125.20 kJ/mol NIST
ΔfH°liquid -169.80 ± 0.88 kJ/mol NIST
ΔfusH° 15.43 kJ/mol Joback Calculated Property
ΔvapH° [39.50; 44.70] kJ/mol Show Hide
ΔvapH° 44.23 kJ/mol NIST
ΔvapH° 44.20 kJ/mol NIST
ΔvapH° 44.50 kJ/mol NIST
ΔvapH° Outlier 39.50 kJ/mol NIST
ΔvapH° 44.70 ± 0.80 kJ/mol NIST
ΔvapH° 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. Solubility Prediction
log10WS -2.58 Estimated Solubility
logPoct/wat 2.540 Crippen Calculated Property
McVol 111.750 ml/mol McGowan Calculated Property
Pc 3080.00 kPa ChemSep v8.3 pure component data
Ptriple 4.40e-07 kPa ChemSep v8.3 pure component data
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
S°liquid 338.28 J/mol×K NIST
Tboil [412.00; 416.00] K Show Hide
Tboil 415.98 K ChemSep v8.3 pure component data
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 608.00 K ChemSep v8.3 pure component data
Tfus [170.55; 170.65] K Show Hide
Tfus 170.55 K ChemSep v8.3 pure component data
Tfus 170.65 K Aq. Solubility Prediction
Ttriple [170.43; 170.44] K Show Hide
Ttriple 170.44 K ChemSep v8.3 pure component data
Ttriple 170.43 ± 0.05 K NIST
Ttriple 170.44 ± 0.03 K NIST
Ttriple 170.43 ± 0.05 K NIST
Ttriple 170.44 ± 0.03 K NIST
UQi 4.38 ChemSep v8.3 pure component data
URi 5.21 ChemSep v8.3 pure component data
Vc 0.412 m3/kmol ChemSep v8.3 pure component data
Zc 0.2510000 ChemSep v8.3 pure component data
Zra 0.25 ChemSep v8.3 pure component data

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
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
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; 71.24] J/mol×K [170.44; 170.44] Show Hide
ΔfusS 71.24 J/mol×K 170.44 NIST
ΔfusS 71.24 J/mol×K 170.44 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [151.81; 397.87] J/mol×K [273.15; 1500.00] ChemSep v8.3 pure component data Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.05470e+02
Coefficient B-6.59930e+02
Coefficient C6.29124e+00
Coefficient D-1.50000e-04
Coefficient E2.30410e-08
CommentChemSep eq 16, IdealGasHeatCapacityCp
Temperature range, min.273.15
Temperature range, max.1500.00
Cp,gas 151.81 J/mol×K 273.15 Calculated Property
Cp,gas 207.17 J/mol×K 409.47 Calculated Property
Cp,gas 254.94 J/mol×K 545.78 Calculated Property
Cp,gas 292.67 J/mol×K 682.10 Calculated Property
Cp,gas 321.96 J/mol×K 818.42 Calculated Property
Cp,gas 344.79 J/mol×K 954.73 Calculated Property
Cp,gas 362.75 J/mol×K 1091.05 Calculated Property
Cp,gas 377.03 J/mol×K 1227.37 Calculated Property
Cp,gas 388.52 J/mol×K 1363.68 Calculated Property
Cp,gas 397.87 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [203.79; 255.42] J/mol×K [170.44; 375.00] ChemSep v8.3 pure component data Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,liquid in J/mol×K, T in K
Coefficient A1.65300e+02
Coefficient B3.30450e+02
Coefficient C-4.56155e-01
Coefficient D1.42600e-02
Coefficient E-9.04100e-06
CommentChemSep eq 16, LiquidHeatCapacityCp
Temperature range, min.170.44
Temperature range, max.375.00
Cp,liquid 203.79 J/mol×K 170.44 Calculated Property
Cp,liquid 204.62 J/mol×K 193.17 Calculated Property
Cp,liquid 207.05 J/mol×K 215.90 Calculated Property
Cp,liquid 210.75 J/mol×K 238.63 Calculated Property
Cp,liquid 215.58 J/mol×K 261.36 Calculated Property
Cp,liquid 221.47 J/mol×K 284.08 Calculated Property
Cp,liquid 228.42 J/mol×K 306.81 Calculated Property
Cp,liquid 236.40 J/mol×K 329.54 Calculated Property
Cp,liquid 245.41 J/mol×K 352.27 Calculated Property
Cp,liquid 255.42 J/mol×K 375.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0123859; 0.0001334] Pa×s [170.44; 508.00] ChemSep v8.3 pure component data Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.02850e+01
Coefficient B1.15090e+03
Coefficient C-1.70640e-01
Coefficient D6.22810e-07
Coefficient E2.00000e+00
CommentChemSep eq 101, LiquidViscosity
Temperature range, min.170.44
Temperature range, max.508.00
η 0.0123859 Pa×s 170.44 Calculated Property
η 0.0035734 Pa×s 207.95 Calculated Property
η 0.0015070 Pa×s 245.45 Calculated Property
η 0.0007998 Pa×s 282.96 Calculated Property
η 0.0004934 Pa×s 320.47 Calculated Property
η 0.0003376 Pa×s 357.97 Calculated Property
η 0.0002490 Pa×s 395.48 Calculated Property
η 0.0001943 Pa×s 432.99 Calculated Property
η 0.0001583 Pa×s 470.49 Calculated Property
η 0.0001334 Pa×s 508.00 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [50.50; 16.79] kJ/mol [170.44; 584.97] ChemSep v8.3 pure component data Show Hide
EquationY = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc
Y is ΔvapH in kJ/mol, T in K
Coefficient A5.75750e+01
Coefficient B3.83340e-01
Coefficient C9.83970e-02
Coefficient D-1.72330e-01
Coefficient E6.51590e-02
Critical temperature, Tc (K)6.08000e+02
CommentChemSep eq 106, HeatOfVaporization
Temperature range, min.170.44
Temperature range, max.584.97
ΔvapH 50.50 kJ/mol 170.44 Calculated Property
ΔvapH 48.29 kJ/mol 216.50 Calculated Property
ΔvapH 45.95 kJ/mol 262.56 Calculated Property
ΔvapH 43.45 kJ/mol 308.62 Calculated Property
ΔvapH 40.74 kJ/mol 354.68 Calculated Property
ΔvapH 37.76 kJ/mol 400.73 Calculated Property
ΔvapH 34.38 kJ/mol 446.79 Calculated Property
ΔvapH 30.36 kJ/mol 492.85 Calculated Property
ΔvapH 25.17 kJ/mol 538.91 Calculated Property
ΔvapH 16.79 kJ/mol 584.97 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [308.78; 440.91] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
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 [9.93e-08; 4646.41] kPa [170.44; 608.00] ChemSep v8.3 pure component data Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is Pvap in kPa, T in K
Coefficient A1.42730e+02
Coefficient B-1.02516e+04
Coefficient C-1.93067e+01
Coefficient D1.71365e-05
Coefficient E2.00000e+00
CommentChemSep eq 101, VaporPressure
Temperature range, min.170.44
Temperature range, max.608.00
Pvap 9.93e-08 kPa 170.44 Calculated Property
Pvap 6.78e-04 kPa 219.06 Calculated Property
Pvap 0.10 kPa 267.68 Calculated Property
Pvap 2.44 kPa 316.29 Calculated Property
Pvap 20.40 kPa 364.91 Calculated Property
Pvap 94.82 kPa 413.53 Calculated Property
Pvap 312.13 kPa 462.15 Calculated Property
Pvap 840.75 kPa 510.76 Calculated Property
Pvap 2028.11 kPa 559.38 Calculated Property
Pvap 4646.41 kPa 608.00 Calculated Property
Pvap [0.13; 3207.58] kPa [270.15; 609.73] KDB Vapor Pressure Data Show Hide
Equationln(Y) = A + B/T + C·ln(T) + D·T² + E/T²
Y is Pvap in kPa, T in K
Coefficient A1.02676e+02
Coefficient B-8.82408e+03
Coefficient C-1.29840e+01
Coefficient D8.43544e-06
Coefficient E0.00000e+00
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
Property Value Unit Temperature (K) Source
ρl [932.94; 472.53] kg/m3 [170.44; 584.97] ChemSep v8.3 pure component data Show Hide
EquationY = A / B^(1 + (1 − T/C)^D)
Y is ρl in kg/m3, T in K
Coefficient A7.83887e+01
Coefficient B2.73130e-01
Coefficient C6.08000e+02
Coefficient D2.92240e-01
CommentChemSep eq 105, LiquidDensity
Temperature range, min.170.44
Temperature range, max.584.97
ρl 932.94 kg/m3 170.44 Calculated Property
ρl 898.42 kg/m3 216.50 Calculated Property
ρl 862.34 kg/m3 262.56 Calculated Property
ρl 824.35 kg/m3 308.62 Calculated Property
ρl 783.93 kg/m3 354.68 Calculated Property
ρl 740.32 kg/m3 400.73 Calculated Property
ρl 692.28 kg/m3 446.79 Calculated Property
ρl 637.48 kg/m3 492.85 Calculated Property
ρl 570.70 kg/m3 538.91 Calculated Property
ρl 472.53 kg/m3 584.97 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.04; 8.54e-04] N/m [170.44; 584.97] ChemSep v8.3 pure component data Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is γ in N/m, T in K
Coefficient A-1.67470e-02
Coefficient B1.68810e+01
Coefficient C-2.76670e+00
Coefficient D-7.67370e-04
Coefficient E-2.49300e-06
CommentChemSep eq 16, SurfaceTension
Temperature range, min.170.44
Temperature range, max.584.97
γ 0.04 N/m 170.44 Calculated Property
γ 0.03 N/m 216.50 Calculated Property
γ 0.03 N/m 262.56 Calculated Property
γ 0.02 N/m 308.62 Calculated Property
γ 0.02 N/m 354.68 Calculated Property
γ 0.02 N/m 400.73 Calculated Property
γ 0.01 N/m 446.79 Calculated Property
γ 0.01 N/m 492.85 Calculated Property
γ 0.00 N/m 538.91 Calculated Property
γ 8.54e-04 N/m 584.97 Calculated Property
Property Value Unit Temperature (K) Source
λ [0.00; 0.08] W/m×K [170.44; 1000.00] ChemSep v8.3 pure component data Show Hide
EquationY = A·T^B / (1 + C/T + D/T²)
Y is λ in W/m×K, T in K
Coefficient A8.61510e-03
Coefficient B4.87060e-01
Coefficient C1.64860e+03
Coefficient D4.89220e+05
CommentChemSep eq 102, VaporThermalConductivity
Temperature range, min.170.44
Temperature range, max.1000.00
λ 0.00 W/m×K 170.44 Calculated Property
λ 0.01 W/m×K 262.61 Calculated Property
λ 0.02 W/m×K 354.79 Calculated Property
λ 0.02 W/m×K 446.96 Calculated Property
λ 0.03 W/m×K 539.13 Calculated Property
λ 0.04 W/m×K 631.31 Calculated Property
λ 0.05 W/m×K 723.48 Calculated Property
λ 0.06 W/m×K 815.65 Calculated Property
λ 0.07 W/m×K 907.83 Calculated Property
λ 0.08 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λ [0.16; 0.10] W/m×K [170.44; 415.98] ChemSep v8.3 pure component data Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is λ in W/m×K, T in K
Coefficient A-7.81090e-02
Coefficient B7.17330e+00
Coefficient C-1.42310e+00
Coefficient D-9.76390e-05
Coefficient E-1.54650e-06
CommentChemSep eq 16, LiquidThermalConductivity
Temperature range, min.170.44
Temperature range, max.415.98
λ 0.16 W/m×K 170.44 Calculated Property
λ 0.15 W/m×K 197.72 Calculated Property
λ 0.15 W/m×K 225.00 Calculated Property
λ 0.14 W/m×K 252.29 Calculated Property
λ 0.14 W/m×K 279.57 Calculated Property
λ 0.13 W/m×K 306.85 Calculated Property
λ 0.12 W/m×K 334.13 Calculated Property
λ 0.12 W/m×K 361.42 Calculated Property
λ 0.11 W/m×K 388.70 Calculated Property
λ 0.10 W/m×K 415.98 Calculated Property

Similar Compounds

Propane, 1-(ethylthio)-. 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. Propane, 1,1'-sulfinylbis-. Butane, 1-(propylthio)-. 3-Thia-1-hexanethiol. Butane, 1,1'-thiobis-.

Find more compounds similar to Propyl sulfide.

Sources

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