Chemical Properties of Butane, 1,1'-thiobis- (CAS 544-40-1)

Butane, 1,1'-thiobis-

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
146.30
CAS
544-40-1
Other Names
  • (n-C4H9)2S
  • 1,1'-Thiobisbutane
  • 5-thianonane
  • Butyl monosulfide
  • Di-n-butyl sulfide
  • Dibutyl sulphide
  • Dibutylsulfide
  • NSC 8460
  • Sulfide, n-butyl-
  • Thianonane-5
  • Thiononane-5
  • butyl sulfide
  • butylthiobutane
  • dibutyl sulfide
  • dibutyl thioether
  • n-Butyl sulfide
  • n-Dibutyl sulfide
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Physical Properties

Property Value Unit Source
ω 0.4277 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
PAff 871.80 kJ/mol NIST
BasG 842.10 kJ/mol NIST
ΔcH°liquid [-6102.03; -6102.00] kJ/mol Show Hide
ΔcH°liquid -6102.03 kJ/mol NIST
ΔcH°liquid -6102.00 ± 1.30 kJ/mol NIST
ΔfG° 49.60 kJ/mol Joback Calculated Property
ΔfH°gas [-167.40; -167.20] kJ/mol Show Hide
ΔfH°gas -167.40 kJ/mol NIST
ΔfH°gas -167.20 kJ/mol NIST
ΔfH°liquid [-220.70; -220.50] kJ/mol Show Hide
ΔfH°liquid -220.70 ± 1.90 kJ/mol NIST
ΔfH°liquid -220.50 ± 1.50 kJ/mol NIST
ΔfusH° 20.61 kJ/mol Joback Calculated Property
ΔvapH° [40.30; 54.20] kJ/mol Show Hide
ΔvapH° 52.96 kJ/mol NIST
ΔvapH° Outlier 40.30 kJ/mol NIST
ΔvapH° 53.00 kJ/mol NIST
ΔvapH° 54.20 ± 0.80 kJ/mol NIST
ΔvapH° 53.35 kJ/mol NIST
ΔvapH° 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 -3.88 Relay (1.0) Calculated Property
logPoct/wat 3.320 Crippen Calculated Property
McVol 139.930 ml/mol McGowan Calculated Property
Pc [2480.00; 2499.69] kPa Show Hide
Pc 2480.00 kPa IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 8 Compiled value
Pc 2499.69 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
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
Ip [1254.00; 1289.00]   Show Hide
Ip 1270.60 NIST
Ip 1256.60 NIST
Ip 1286.00 NIST
Ip 1289.00 NIST
Ip 1262.00 NIST
Ip 1270.00 NIST
Ip 1254.00 NIST
Ip 1270.00 NIST
Ip 1256.00 NIST
Ip 1270.00 NIST
S°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 [650.00; 650.00] K Show Hide
Tc 650.00 K IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 8 Compiled value
Tc 650.00 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tfus [193.15; 221.85] K Show Hide
Tfus 193.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 221.85 K KDB
Tfus 198.12 ± 0.02 K NIST
Ttriple [198.13; 198.14] K Show Hide
Ttriple 198.14 K Staveley, Lobo and Calado (1981), triple points Compiled value
Ttriple 198.13 ± 0.04 K NIST
Ttriple 198.13 ± 0.03 K NIST
Ttriple 198.13 ± 0.04 K NIST
Ttriple 198.13 ± 0.03 K NIST
Vc 0.536 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
VCOSTALD 0.56 m3/kmol Hankinson and Thomson (1979), COSTALD parameters Compiled value
ωSRK 0.48 Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zra 0.26 Hankinson and Thomson (1979), COSTALD parameters Compiled value

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
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
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; 98.05] J/mol×K [198.13; 198.13] Show Hide
ΔfusS 98.05 J/mol×K 198.13 NIST
ΔfusS 98.05 J/mol×K 198.13 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [195.70; 458.65] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.52160e+01
Coefficient B7.58230e-01
Coefficient C-3.71200e-04
Coefficient D5.64000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 195.70 J/mol×K 273.00 Calculated Property
Cp,gas 239.50 J/mol×K 353.78 Calculated Property
Cp,gas 279.24 J/mol×K 434.56 Calculated Property
Cp,gas 315.10 J/mol×K 515.33 Calculated Property
Cp,gas 347.25 J/mol×K 596.11 Calculated Property
Cp,gas 375.87 J/mol×K 676.89 Calculated Property
Cp,gas 401.14 J/mol×K 757.67 Calculated Property
Cp,gas 423.24 J/mol×K 838.44 Calculated Property
Cp,gas 442.35 J/mol×K 919.22 Calculated Property
Cp,gas 458.65 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [340.12; 492.01] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
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 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 A2.52296e+02
Coefficient B-1.67842e+04
Coefficient C-3.51983e+01
Coefficient D2.22154e-05
Coefficient E0.00000e+00
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
Pvap [3.79; 15.74] kPa [283.00; 313.00] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.39436e+01
Coefficient B-2.97518e+03
Coefficient C-4.70660e+01
ReferenceBauer and Burschkies, 1935
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.283.00
Temperature range, max.313.00
Pvap 3.79 kPa 283.00 Calculated Property
Pvap 4.52 kPa 286.33 Calculated Property
Pvap 5.37 kPa 289.67 Calculated Property
Pvap 6.34 kPa 293.00 Calculated Property
Pvap 7.45 kPa 296.33 Calculated Property
Pvap 8.72 kPa 299.67 Calculated Property
Pvap 10.16 kPa 303.00 Calculated Property
Pvap 11.80 kPa 306.33 Calculated Property
Pvap 13.65 kPa 309.67 Calculated Property
Pvap 15.74 kPa 313.00 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. Butyl isopentyl sulfide.

Find more compounds similar to Butane, 1,1'-thiobis-.

Mixtures

Sources

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