Chemical Properties of Propane, 2-(methylthio)- (CAS 1551-21-9)

Propane, 2-(methylthio)-

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InChI
InChI=1S/C4H10S/c1-4(2)5-3/h4H,1-3H3
InChI Key
ROSSIHMZZJOVOU-UHFFFAOYSA-N
Formula
C4H10S
SMILES
CSC(C)C
Molecular Weight1
90.19
CAS
1551-21-9
Other Names
  • 2-(METHYLTHIO)PROPANE
  • 3-METHYL-2-THIABUTANE
  • Isopropyl methyl sulfide
  • Isopropyl methyl sulphide
  • Methyl isopropyl sulfide
  • Sulfide, isopropyl methyl
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Physical Properties

Property Value Unit Source
ω 0.2590 KDB
Δcliquid -3480.80 ± 0.59 kJ/mol NIST
Δf 13.48 kJ/mol Joback Calculated Property
Δfgas -89.66 ± 0.75 kJ/mol NIST
Δfliquid -124.70 ± 0.75 kJ/mol NIST
Δfus 6.72 kJ/mol Joback Calculated Property
Δvap [34.10; 35.00] kJ/mol Show Hide
Δvap 34.24 kJ/mol NIST
Δvap 34.10 kJ/mol NIST
Δvap 35.00 kJ/mol NIST
Δvap 34.20 kJ/mol NIST
IE 8.70 ± 0.20 eV NIST
log10WS -1.49 Crippen Calculated Property
logPoct/wat 1.758 Crippen Calculated Property
McVol 83.570 ml/mol McGowan Calculated Property
Pc 3900.00 kPa KDB
Inp [650.00; 676.00]   Show Hide
Inp 675.00 NIST
Inp 675.00 NIST
Inp 675.00 NIST
Inp 665.00 NIST
Inp 676.00 NIST
Inp Outlier 650.00 NIST
Inp 675.00 NIST
liquid 263.09 J/mol×K NIST
Tboil 357.90 K KDB
Tc [549.50; 551.00] K Show Hide
Tc 551.00 K KDB
Tc 549.50 K NIST
Tfus [171.64; 172.00] K Show Hide
Tfus 172.00 K KDB
Tfus 171.64 ± 0.06 K NIST
Tfus 171.67 ± 0.10 K NIST
Ttriple 171.65 ± 0.06 K NIST
Vc 0.307 m3/kmol KDB
Zc 0.2617710 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [135.33; 183.53] J/mol×K [359.26; 555.15] Show Hide
Cp,gas 135.33 J/mol×K 359.26 Joback Calculated Property
Cp,gas 144.14 J/mol×K 391.91 Joback Calculated Property
Cp,gas 152.64 J/mol×K 424.56 Joback Calculated Property
Cp,gas 160.82 J/mol×K 457.20 Joback Calculated Property
Cp,gas 168.70 J/mol×K 489.85 Joback Calculated Property
Cp,gas 176.26 J/mol×K 522.50 Joback Calculated Property
Cp,gas 183.53 J/mol×K 555.15 Joback Calculated Property
Cp,liquid 172.38 J/mol×K 298.15 NIST
ΔfusH [9.36; 9.36] kJ/mol [171.65; 171.70] Show Hide
ΔfusH 9.36 kJ/mol 171.65 NIST
ΔfusH 9.36 kJ/mol 171.70 NIST
ΔfusH 9.36 kJ/mol 171.70 NIST
ΔvapH [30.70; 33.80] kJ/mol [318.00; 358.00] Show Hide
ΔvapH 33.00 ± 0.10 kJ/mol 318.00 NIST
ΔvapH 33.80 kJ/mol 333.00 NIST
ΔvapH 32.00 ± 0.10 kJ/mol 336.00 NIST
ΔvapH 30.70 kJ/mol 357.90 KDB
ΔvapH 30.71 kJ/mol 357.90 NIST
ΔvapH 30.70 ± 0.10 kJ/mol 358.00 NIST
ΔfusS 54.50 J/mol×K 171.65 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [260.95; 383.75] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.40173e+01
Coefficient B-2.92160e+03
Coefficient C-4.81570e+01
Temperature range, min.260.95
Temperature range, max.383.75
Pvap 1.33 kPa 260.95 Calculated Property
Pvap 3.05 kPa 274.59 Calculated Property
Pvap 6.35 kPa 288.24 Calculated Property
Pvap 12.21 kPa 301.88 Calculated Property
Pvap 21.98 kPa 315.53 Calculated Property
Pvap 37.36 kPa 329.17 Calculated Property
Pvap 60.47 kPa 342.82 Calculated Property
Pvap 93.78 kPa 356.46 Calculated Property
Pvap 140.13 kPa 370.11 Calculated Property
Pvap 202.66 kPa 383.75 Calculated Property
Pvap [1.33; 3917.05] kPa [260.15; 551.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.92492e+01
Coefficient B-6.63680e+03
Coefficient C-9.70503e+00
Coefficient D7.65631e-06
Temperature range, min.260.15
Temperature range, max.551.00
Pvap 1.33 kPa 260.15 Calculated Property
Pvap 8.19 kPa 292.47 Calculated Property
Pvap 33.00 kPa 324.78 Calculated Property
Pvap 98.89 kPa 357.10 Calculated Property
Pvap 239.90 kPa 389.42 Calculated Property
Pvap 499.29 kPa 421.73 Calculated Property
Pvap 928.32 kPa 454.05 Calculated Property
Pvap 1587.64 kPa 486.37 Calculated Property
Pvap 2551.78 kPa 518.68 Calculated Property
Pvap 3917.05 kPa 551.00 Calculated Property

Similar Compounds

Diisopropyl sulfide. Propane, 2-(ethylthio)-. Propanal, 2-methylthio. 2,6-dimethyl-3,5-dithiaheptane. Thiirane, methyl-. 2-methyl-3,5-dithiahexane. 1-Propyne, 3-[(1-methylethyl)thio]-. 2-[Isopropylthio]ethanal. 4-methyl-3-thia-1-pentene. 2-methyl-3,6-dithiaheptane. 2-(Methylsulphonyl)propane. Propane, 2-methyl-2-[(1-methylethyl)thio]-. Ethane, 1,2-bis(isopropylthio)-. Propane, 1-[(1-methylethyl)thio]-. Propane, 2-methyl-2-(methylthio)-.

Find more compounds similar to Propane, 2-(methylthio)-.

Sources

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