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

Propane, 1-(methylthio)-

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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 N-PROPYL SULFIDE
  • Methyl propyl sulfide
  • Methyl propyl sulphide
  • Sulfide, methyl propyl
  • n-C3H7SCH3
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Physical Properties

Property Value Unit Source
Δf 15.92 kJ/mol Joback Calculated Property
Δfgas -84.02 kJ/mol Joback Calculated Property
Δfus 10.25 kJ/mol Joback Calculated Property
Δvap [36.20; 36.31] kJ/mol Show Hide
Δvap 36.31 kJ/mol NIST
Δvap 36.20 kJ/mol NIST
Δvap 36.30 ± 0.40 kJ/mol NIST
IE 8.80 ± 0.15 eV NIST
log10WS -1.38 Crippen Calculated Property
logPoct/wat 1.759 Crippen Calculated Property
McVol 83.570 ml/mol McGowan Calculated Property
Pc 3980.54 kPa Joback Calculated Property
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
I 951.00 NIST
liquid 272.55 J/mol×K NIST
Tboil [367.00; 368.80] K Show Hide
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 367.00 ± 3.00 K NIST
Tc 574.10 K NIST
Tfus [160.17; 160.18] K Show Hide
Tfus 160.18 ± 0.06 K NIST
Tfus 160.17 ± 0.10 K NIST
Ttriple 160.17 ± 0.05 K NIST
Vc 0.314 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [135.44; 182.04] J/mol×K [359.70; 550.75] Show Hide
Cp,gas 135.44 J/mol×K 359.70 Joback Calculated Property
Cp,gas 143.93 J/mol×K 391.54 Joback Calculated Property
Cp,gas 152.12 J/mol×K 423.38 Joback Calculated Property
Cp,gas 160.03 J/mol×K 455.23 Joback Calculated Property
Cp,gas 167.65 J/mol×K 487.07 Joback Calculated Property
Cp,gas 174.99 J/mol×K 518.91 Joback Calculated Property
Cp,gas 182.04 J/mol×K 550.75 Joback Calculated Property
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 160.20 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 35.30 kJ/mol 341.00 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
ΔfusS 61.88 J/mol×K 160.17 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [269.83; 393.44] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
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 [1.34; 3876.69] kPa [269.15; 563.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A8.08044e+01
Coefficient B-6.94795e+03
Coefficient C-9.86974e+00
Coefficient D7.27846e-06
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

Similar Compounds

Propyl sulfide. Sulfide, ethyl propyl. 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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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.