Chemical Properties of Propane, 1-(methylthio)- (CAS 3877-15-4)

Propane, 1-(methylthio)-

InChI
InChI=1S/C4H10S/c1-3-4-5-2/h3-4H2,1-2H3
InChI Key
ZOASGOXWEHUTKZ-UHFFFAOYSA-N
Formula
C4H10S
SMILES
CCCSC
Molecular Weight1
90.19
CAS
3877-15-4
Other Names
  • 1-(Methylthio)propane
  • 2-Thiapentane
  • Methyl propyl sulfide
  • Methyl propyl sulphide
  • Sulfide, methyl propyl
  • methyl N-propyl sulfide
  • n-C3H7SCH3
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Physical Properties

Property Value Unit Source
ω 0.3569 ChemSep v8.3 pure component data Compiled value
μ 1.65 debye ChemSep v8.3 pure component data Compiled value
ΔfG° 17.93 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas -81.90 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfusH° 10.25 kJ/mol Joback Calculated Property
ΔvapH° [36.20; 36.31] kJ/mol Show Hide
ΔvapH° 36.31 kJ/mol NIST
ΔvapH° 36.20 kJ/mol NIST
ΔvapH° 36.30 ± 0.40 kJ/mol NIST
ΔvapH° 36.30 ± 0.40 kJ/mol NIST
IE 8.80 ± 0.15 eV NIST
log10WS -1.51 Relay (1.0) Calculated Property
logPoct/wat 1.759 Crippen Calculated Property
McVol 83.570 ml/mol McGowan Calculated Property
Pc 3800.00 kPa ChemSep v8.3 pure component data Compiled value
Ptriple 4.26e-06 kPa ChemSep v8.3 pure component data Compiled value
Inp [701.00; 752.00]   Show Hide
Inp 715.00 NIST
Inp 706.00 NIST
Inp 715.00 NIST
Inp 715.00 NIST
Inp 718.00 NIST
Inp 723.00 NIST
Inp 727.00 NIST
Inp Outlier 752.00 NIST
Inp 715.00 NIST
Inp 712.00 NIST
Inp 707.00 NIST
Inp 714.00 NIST
Inp 705.00 NIST
Inp 701.00 NIST
Inp 702.00 NIST
Inp 717.00 NIST
Ip [951.00; 951.00]   Show Hide
Ip 951.00 NIST
Ip 951.00 NIST
S°liquid 272.55 J/mol×K NIST
Tboil [367.00; 368.80] K Show Hide
Tboil 368.69 K ChemSep v8.3 pure component data Compiled value
Tboil 368.70 K NIST
Tboil 368.70 K NIST
Tboil 368.80 ± 0.30 K NIST
Tboil 368.80 ± 0.30 K NIST
Tboil Outlier 367.00 ± 3.00 K NIST
Tc [552.00; 574.10] K Show Hide
Tc 552.00 K ChemSep v8.3 pure component data Compiled value
Tc 574.10 K NIST
Tfus [160.15; 160.18] K Show Hide
Tfus 160.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 160.17 K ChemSep v8.3 pure component data Compiled value
Tfus 160.18 ± 0.06 K NIST
Tfus 160.17 ± 0.10 K NIST
Ttriple [160.17; 160.18] K Show Hide
Ttriple 160.18 K Staveley, Lobo and Calado (1981), triple points Compiled value
Ttriple 160.17 K ChemSep v8.3 pure component data Compiled value
Ttriple 160.17 ± 0.05 K NIST
Ttriple 160.17 ± 0.05 K NIST
UQi 3.30 ChemSep v8.3 pure component data Compiled value
URi 3.86 ChemSep v8.3 pure component data Compiled value
Vc 0.322 m3/kmol ChemSep v8.3 pure component data Compiled value
VCOSTALD 0.31 m3/kmol Hankinson and Thomson (1979), COSTALD parameters Compiled value
ωSRK 0.28 Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zc 0.2590000 ChemSep v8.3 pure component data Compiled value
Zra [0.26; 0.27]   Show Hide
Zra 0.27 Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zra 0.26 ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid 171.63 J/mol×K 298.15 NIST
ΔfusH [9.91; 9.91] kJ/mol [160.17; 160.20] Show Hide
ΔfusH 9.91 kJ/mol 160.17 NIST
ΔfusH 9.91 kJ/mol 160.17 NIST
ΔfusH 9.91 kJ/mol 160.20 NIST
ΔfusH 9.91 kJ/mol 160.20 NIST
ΔvapH [32.08; 35.30] kJ/mol [328.00; 369.00] Show Hide
ΔvapH 34.50 ± 0.10 kJ/mol 328.00 NIST
ΔvapH 34.50 ± 0.10 kJ/mol 328.00 NIST
ΔvapH 35.30 kJ/mol 341.00 NIST
ΔvapH 33.40 ± 0.10 kJ/mol 347.00 NIST
ΔvapH 33.40 ± 0.10 kJ/mol 347.00 NIST
ΔvapH 32.08 kJ/mol 368.70 NIST
ΔvapH 32.10 ± 0.10 kJ/mol 369.00 NIST
ΔvapH 32.10 ± 0.10 kJ/mol 369.00 NIST
ΔfusS [61.88; 61.88] J/mol×K [160.17; 160.17] Show Hide
ΔfusS 61.88 J/mol×K 160.17 NIST
ΔfusS 61.88 J/mol×K 160.17 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [110.42; 298.97] J/mol×K [273.15; 1500.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,gas in J/mol×K, T in K
Coefficient A7.62010e+01
Coefficient B-5.75500e+02
Coefficient C5.56424e+00
Coefficient D3.03730e-04
Coefficient E-1.02240e-07
Temperature range, min.273.15
Temperature range, max.1500.00
Cp,gas 110.42 J/mol×K 273.15 Calculated Property
Cp,gas 147.44 J/mol×K 409.47 Calculated Property
Cp,gas 180.28 J/mol×K 545.78 Calculated Property
Cp,gas 207.85 J/mol×K 682.10 Calculated Property
Cp,gas 230.85 J/mol×K 818.42 Calculated Property
Cp,gas 250.06 J/mol×K 954.73 Calculated Property
Cp,gas 266.09 J/mol×K 1091.05 Calculated Property
Cp,gas 279.39 J/mol×K 1227.37 Calculated Property
Cp,gas 290.27 J/mol×K 1363.68 Calculated Property
Cp,gas 298.97 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [158.14; 190.11] J/mol×K [160.17; 368.69] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,liquid in J/mol×K, T in K
Coefficient A1.40680e+02
Coefficient B4.77810e+02
Coefficient C-3.09686e+00
Coefficient D2.09490e-02
Coefficient E-1.48770e-05
Temperature range, min.160.17
Temperature range, max.368.69
Cp,liquid 158.14 J/mol×K 160.17 Calculated Property
Cp,liquid 157.97 J/mol×K 183.34 Calculated Property
Cp,liquid 159.01 J/mol×K 206.51 Calculated Property
Cp,liquid 160.97 J/mol×K 229.68 Calculated Property
Cp,liquid 163.75 J/mol×K 252.85 Calculated Property
Cp,liquid 167.34 J/mol×K 276.01 Calculated Property
Cp,liquid 171.75 J/mol×K 299.18 Calculated Property
Cp,liquid 177.00 J/mol×K 322.35 Calculated Property
Cp,liquid 183.13 J/mol×K 345.52 Calculated Property
Cp,liquid 190.11 J/mol×K 368.69 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0071209; 0.0001422] Pa×s [160.17; 452.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.16830e+01
Coefficient B9.83430e+02
Coefficient C1.19960e-01
Coefficient D-4.12620e-07
Coefficient E2.00000e+00
Temperature range, min.160.17
Temperature range, max.452.00
η 0.0071209 Pa×s 160.17 Calculated Property
η 0.0025772 Pa×s 192.60 Calculated Property
η 0.0012510 Pa×s 225.02 Calculated Property
η 0.0007285 Pa×s 257.45 Calculated Property
η 0.0004785 Pa×s 289.87 Calculated Property
η 0.0003416 Pa×s 322.30 Calculated Property
η 0.0002591 Pa×s 354.72 Calculated Property
η 0.0002055 Pa×s 387.15 Calculated Property
η 0.0001687 Pa×s 419.57 Calculated Property
η 0.0001422 Pa×s 452.00 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [44.43; 11.03] kJ/mol [160.17; 543.69] ChemSep v8.3 pure component data Compiled value 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 A5.46064e+01
Coefficient B6.10381e-01
Coefficient C1.83873e-01
Coefficient D-8.64255e-01
Coefficient E4.48129e-01
Critical temperature, Tc (K)5.52000e+02
Temperature range, min.160.17
Temperature range, max.543.69
ΔvapH 44.43 kJ/mol 160.17 Calculated Property
ΔvapH 41.80 kJ/mol 202.78 Calculated Property
ΔvapH 39.27 kJ/mol 245.40 Calculated Property
ΔvapH 36.81 kJ/mol 288.01 Calculated Property
ΔvapH 34.37 kJ/mol 330.62 Calculated Property
ΔvapH 31.85 kJ/mol 373.24 Calculated Property
ΔvapH 29.09 kJ/mol 415.85 Calculated Property
ΔvapH 25.74 kJ/mol 458.46 Calculated Property
ΔvapH 21.03 kJ/mol 501.08 Calculated Property
ΔvapH 11.03 kJ/mol 543.69 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [269.83; 393.44] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.42307e+01
Coefficient B-3.05990e+03
Coefficient C-5.03700e+01
Temperature range, min.269.83
Temperature range, max.393.44
Pvap 1.33 kPa 269.83 Calculated Property
Pvap 3.03 kPa 283.56 Calculated Property
Pvap 6.29 kPa 297.30 Calculated Property
Pvap 12.08 kPa 311.03 Calculated Property
Pvap 21.74 kPa 324.77 Calculated Property
Pvap 37.00 kPa 338.50 Calculated Property
Pvap 59.98 kPa 352.24 Calculated Property
Pvap 93.24 kPa 365.97 Calculated Property
Pvap 139.71 kPa 379.71 Calculated Property
Pvap 202.65 kPa 393.44 Calculated Property
Pvap [4.28e-06; 3390.45] kPa [160.17; 552.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is Pvap in kPa, T in K
Coefficient A7.68819e+01
Coefficient B-6.78654e+03
Coefficient C-9.26788e+00
Coefficient D6.74231e-06
Coefficient E2.00000e+00
CommentRange stopped at Tc; ChemSep gives it to 565 K.
Temperature range, min.160.17
Temperature range, max.552.00
Pvap 4.28e-06 kPa 160.17 Calculated Property
Pvap 4.39e-03 kPa 203.71 Calculated Property
Pvap 0.29 kPa 247.24 Calculated Property
Pvap 4.67 kPa 290.78 Calculated Property
Pvap 32.14 kPa 334.32 Calculated Property
Pvap 132.10 kPa 377.85 Calculated Property
Pvap 388.81 kPa 421.39 Calculated Property
Pvap 916.12 kPa 464.93 Calculated Property
Pvap 1855.91 kPa 508.46 Calculated Property
Pvap 3390.45 kPa 552.00 Calculated Property
Pvap [1.34; 3876.69] kPa [269.15; 563.00] 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 A8.08044e+01
Coefficient B-6.94795e+03
Coefficient C-9.86974e+00
Coefficient D7.27846e-06
Coefficient E0.00000e+00
Temperature range, min.269.15
Temperature range, max.563.00
Pvap 1.34 kPa 269.15 Calculated Property
Pvap 8.10 kPa 301.80 Calculated Property
Pvap 32.35 kPa 334.45 Calculated Property
Pvap 96.70 kPa 367.10 Calculated Property
Pvap 234.81 kPa 399.75 Calculated Property
Pvap 489.82 kPa 432.40 Calculated Property
Pvap 913.22 kPa 465.05 Calculated Property
Pvap 1565.86 kPa 497.70 Calculated Property
Pvap 2521.99 kPa 530.35 Calculated Property
Pvap 3876.69 kPa 563.00 Calculated Property
Property Value Unit Temperature (K) Source
ρl [966.51; 473.88] kg/m3 [160.17; 543.69] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A / B^(1 + (1 − T/C)^D)
Y is ρl in kg/m3, T in K
Coefficient A1.37806e+02
Coefficient B3.53280e-01
Coefficient C5.52000e+02
Coefficient D3.99530e-01
Temperature range, min.160.17
Temperature range, max.543.69
ρl 966.51 kg/m3 160.17 Calculated Property
ρl 927.87 kg/m3 202.78 Calculated Property
ρl 888.02 kg/m3 245.40 Calculated Property
ρl 846.62 kg/m3 288.01 Calculated Property
ρl 803.21 kg/m3 330.62 Calculated Property
ρl 757.09 kg/m3 373.24 Calculated Property
ρl 707.06 kg/m3 415.85 Calculated Property
ρl 650.85 kg/m3 458.46 Calculated Property
ρl 582.82 kg/m3 501.08 Calculated Property
ρl 473.88 kg/m3 543.69 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.04; 1.54e-04] N/m [160.17; 543.69] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is γ in N/m, T in K
Coefficient A-7.02370e-03
Coefficient B9.27450e+01
Coefficient C-3.87050e+00
Coefficient D3.56870e-03
Coefficient E-1.07480e-05
Temperature range, min.160.17
Temperature range, max.543.69
γ 0.04 N/m 160.17 Calculated Property
γ 0.04 N/m 202.78 Calculated Property
γ 0.03 N/m 245.40 Calculated Property
γ 0.03 N/m 288.01 Calculated Property
γ 0.02 N/m 330.62 Calculated Property
γ 0.02 N/m 373.24 Calculated Property
γ 0.01 N/m 415.85 Calculated Property
γ 0.01 N/m 458.46 Calculated Property
γ 0.00 N/m 501.08 Calculated Property
γ 1.54e-04 N/m 543.69 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.02; 0.08] W/m×K [368.69; 1000.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·T^B / (1 + C/T + D/T²)
Y is λgas in W/m×K, T in K
Coefficient A2.33040e-03
Coefficient B6.75860e-01
Coefficient C1.80330e+03
Coefficient D1.53300e+05
Temperature range, min.368.69
Temperature range, max.1000.00
λgas 0.02 W/m×K 368.69 Calculated Property
λgas 0.02 W/m×K 438.84 Calculated Property
λgas 0.03 W/m×K 508.98 Calculated Property
λgas 0.04 W/m×K 579.13 Calculated Property
λgas 0.04 W/m×K 649.27 Calculated Property
λgas 0.05 W/m×K 719.42 Calculated Property
λgas 0.06 W/m×K 789.56 Calculated Property
λgas 0.07 W/m×K 859.71 Calculated Property
λgas 0.08 W/m×K 929.85 Calculated Property
λgas 0.08 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.17; 0.11] W/m×K [160.17; 368.69] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is λliquid in W/m×K, T in K
Coefficient A-6.20590e-02
Coefficient B3.08140e+00
Coefficient C-1.36290e+00
Coefficient D-5.52140e-04
Coefficient E-1.27830e-06
Temperature range, min.160.17
Temperature range, max.368.69
λliquid 0.17 W/m×K 160.17 Calculated Property
λliquid 0.16 W/m×K 183.34 Calculated Property
λliquid 0.16 W/m×K 206.51 Calculated Property
λliquid 0.15 W/m×K 229.68 Calculated Property
λliquid 0.15 W/m×K 252.85 Calculated Property
λliquid 0.14 W/m×K 276.01 Calculated Property
λliquid 0.13 W/m×K 299.18 Calculated Property
λliquid 0.13 W/m×K 322.35 Calculated Property
λliquid 0.12 W/m×K 345.52 Calculated Property
λliquid 0.11 W/m×K 368.69 Calculated Property

Similar Compounds

Propyl sulfide. Propane, 1-(ethylthio)-. Propane, 1,3-bis(methylthio)-. 2-thiapentanal. 2,6-dithianonane. Propane, 1-(methylsulfinyl)-. 2,4-dithiaheptane. 2,6-dithiaoctane. 4-thia-1-heptyne. 2-[Propylthio]ethanal. 2,5-dithiaoctane. Methional. Butane, 1-(methylthio)-. Thietane. Propane, 2-methyl-1-(methylthio)-.

Find more compounds similar to Propane, 1-(methylthio)-.

Sources

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