Chemical Properties of Thiophene, tetrahydro-3-methyl- (CAS 4740-00-5)

Thiophene, tetrahydro-3-methyl-

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InChI
InChI=1S/C5H10S/c1-5-2-3-6-4-5/h5H,2-4H2,1H3
InChI Key
DLABLFPCTXRQMY-UHFFFAOYSA-N
Formula
C5H10S
SMILES
CC1CCSC1
Molecular Weight1
102.20
CAS
4740-00-5
Other Names
  • 3-METHYLTHIACYCLOPENTANE
  • 3-METHYLTHIOLANE
  • 3-Methyltetrahydrothiophene
  • TETRAHYDRO-3-METHYLTHIOPHENE
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Physical Properties

Property Value Unit Source
ω 0.2460 KDB
Δcliquid -3896.40 ± 0.59 kJ/mol NIST
Δf 67.63 kJ/mol Joback Calculated Property
Δfgas -60.54 ± 0.84 kJ/mol NIST
Δfliquid -102.70 ± 0.79 kJ/mol NIST
Δfus 6.30 kJ/mol Joback Calculated Property
Δvap [42.10; 42.70] kJ/mol Show Hide
Δvap 42.10 ± 0.20 kJ/mol NIST
Δvap 42.20 kJ/mol NIST
Δvap 42.10 ± 0.10 kJ/mol NIST
Δvap 42.70 kJ/mol NIST
log10WS -1.45 Crippen Calculated Property
logPoct/wat 1.759 Crippen Calculated Property
McVol 86.800 ml/mol McGowan Calculated Property
Pc 4375.00 kPa KDB
Inp [845.00; 869.00]   Show Hide
Inp 869.00 NIST
Inp 845.00 NIST
Inp 846.00 NIST
Inp 847.00 NIST
liquid 241.00 J/mol×K NIST
Tboil 411.50 K KDB
Tc 641.20 K KDB
Tfus 192.00 K KDB
Ttriple 192.00 ± 0.02 K NIST
Vc 0.302 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [144.38; 211.47] J/mol×K [376.91; 591.90] Show Hide
Cp,gas 144.38 J/mol×K 376.91 Joback Calculated Property
Cp,gas 157.24 J/mol×K 412.74 Joback Calculated Property
Cp,gas 169.39 J/mol×K 448.57 Joback Calculated Property
Cp,gas 180.86 J/mol×K 484.41 Joback Calculated Property
Cp,gas 191.68 J/mol×K 520.24 Joback Calculated Property
Cp,gas 201.87 J/mol×K 556.07 Joback Calculated Property
Cp,gas 211.47 J/mol×K 591.90 Joback Calculated Property
Cp,liquid 171.80 J/mol×K 298.15 NIST
ΔfusH [10.37; 10.37] kJ/mol [192.00; 192.00] Show Hide
ΔfusH 10.37 kJ/mol 192.00 NIST
ΔfusH 10.37 kJ/mol 192.00 NIST
ΔvapH [39.30; 41.30] kJ/mol [373.00; 396.50] Show Hide
ΔvapH 41.30 kJ/mol 373.00 NIST
ΔvapH 39.30 kJ/mol 384.00 NIST
ΔvapH 39.60 kJ/mol 396.50 NIST
ρl 1011.72 kg/m3 293.10 KDB
ΔfusS 54.01 J/mol×K 192.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [300.21; 439.59] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.39939e+01
Coefficient B-3.30168e+03
Coefficient C-5.93180e+01
Temperature range, min.300.21
Temperature range, max.439.59
Pvap 1.33 kPa 300.21 Calculated Property
Pvap 3.05 kPa 315.70 Calculated Property
Pvap 6.36 kPa 331.18 Calculated Property
Pvap 12.23 kPa 346.67 Calculated Property
Pvap 22.01 kPa 362.16 Calculated Property
Pvap 37.41 kPa 377.64 Calculated Property
Pvap 60.52 kPa 393.13 Calculated Property
Pvap 93.84 kPa 408.62 Calculated Property
Pvap 140.17 kPa 424.10 Calculated Property
Pvap 202.64 kPa 439.59 Calculated Property
Pvap [9.37; 272.98] kPa [340.15; 453.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.94861e+01
Coefficient B-7.62626e+03
Coefficient C-9.51868e+00
Coefficient D5.70298e-06
Temperature range, min.340.15
Temperature range, max.453.15
Pvap 9.37 kPa 340.15 Calculated Property
Pvap 15.49 kPa 352.71 Calculated Property
Pvap 24.58 kPa 365.26 Calculated Property
Pvap 37.61 kPa 377.82 Calculated Property
Pvap 55.73 kPa 390.37 Calculated Property
Pvap 80.21 kPa 402.93 Calculated Property
Pvap 112.52 kPa 415.48 Calculated Property
Pvap 154.25 kPa 428.04 Calculated Property
Pvap 207.12 kPa 440.59 Calculated Property
Pvap 272.98 kPa 453.15 Calculated Property

Similar Compounds

2,7-dimethyl-4-thiaoctane. 7-methyl-4-thiaoctane. 2-methyl-5-thianonane. cis-3,4-dimethyl-thiacyclopentane. 3,4-Dimethylthiolane. trans-3,4-dimethyl-thiacyclopentane. Butane, 1,1'-thiobis[3-methyl-. 3-Ethylthiolane. 6-methyl-3-thiaheptane. 2H-Thiopyran, tetrahydro-3-methyl-. 3,3-dimethyl-thiacyclopentane. Butyl isobutyl sulfide. 7-methyl-4-thia-1-octyne. Butane, 3-methyl-1-(methylthio)-. Pentane, 1-[(3-methylbutyl)thio]-.

Find more compounds similar to Thiophene, tetrahydro-3-methyl-.

Sources

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