Chemical Properties of Hexane, 1,1'-thiobis- (CAS 6294-31-1)

Hexane, 1,1'-thiobis-

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InChI
InChI=1S/C12H26S/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3
InChI Key
LHNRHYOMDUJLLM-UHFFFAOYSA-N
Formula
C12H26S
SMILES
CCCCCCSCCCCCC
Molecular Weight1
202.40
CAS
6294-31-1
Other Names
  • 7-Thiatridecane
  • Di-n-hexyl sulfide
  • Dihexyl sulfide
  • Hexyl sulfide
  • Normal-hexyl sulfide
  • dihexyl sulphide
  • n-Hexyl sulfide
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Physical Properties

Property Value Unit Source
Δf 83.28 kJ/mol Joback Calculated Property
Δfgas -249.14 kJ/mol Joback Calculated Property
Δfus 30.97 kJ/mol Joback Calculated Property
Δvap 49.12 kJ/mol Joback Calculated Property
log10WS -4.73 Crippen Calculated Property
logPoct/wat 4.880 Crippen Calculated Property
McVol 196.290 ml/mol McGowan Calculated Property
Pc 1806.16 kPa Joback Calculated Property
Inp [1457.00; 1499.00]   Show
Inp 1473.00 NIST
Inp 1468.00 NIST
Inp 1473.00 NIST
Inp 1473.00 NIST
Inp Outlier 1499.00 NIST
Inp 1457.00 NIST
Inp 1473.00 NIST
Inp 1472.00 NIST
Inp 1473.00 NIST
Inp 1473.00 NIST
Inp 1473.00 NIST
I [1667.00; 1678.00]   Show
I 1667.00 NIST
I 1678.00 NIST
I 1667.00 NIST
Tboil 503.20 K NIST
Tc 721.16 K Joback Calculated Property
Tfus 259.40 K Joback Calculated Property
Vc 0.761 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [472.53; 565.21] J/mol×K [542.74; 721.16] Show
T(K)
Ideal gas heat capacity (J/mol×K)
480
500
520
540
560
550
600
650
700
Cp,gas 472.53 J/mol×K 542.74 Joback Calculated Property
Cp,gas 489.74 J/mol×K 572.48 Joback Calculated Property
Cp,gas 506.22 J/mol×K 602.21 Joback Calculated Property
Cp,gas 521.99 J/mol×K 631.95 Joback Calculated Property
Cp,gas 537.07 J/mol×K 661.69 Joback Calculated Property
Cp,gas 551.47 J/mol×K 691.42 Joback Calculated Property
Cp,gas 565.21 J/mol×K 721.16 Joback Calculated Property
ΔvapH 72.40 kJ/mol 373.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [378.52; 533.55] The Yaw... Show
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.49517e+01
Coefficient B-4.36250e+03
Coefficient C-8.10260e+01
Temperature range, min.378.52
Temperature range, max.533.55
T(K)
Vapor pressure (kPa)
0
50
100
150
200
400
450
500
Pvap 1.33 kPa 378.52 Calculated Property
Pvap 2.97 kPa 395.75 Calculated Property
Pvap 6.11 kPa 412.97 Calculated Property
Pvap 11.68 kPa 430.20 Calculated Property
Pvap 21.01 kPa 447.42 Calculated Property
Pvap 35.87 kPa 464.65 Calculated Property
Pvap 58.47 kPa 481.87 Calculated Property
Pvap 91.56 kPa 499.10 Calculated Property
Pvap 138.36 kPa 516.32 Calculated Property
Pvap 202.63 kPa 533.55 Calculated Property

Similar Compounds

6-Thiadodecane. 5-Thiaundecane. Heptane, 1,1'-thiobis-. hexyl propyl sulfide. 6-Thiatridecane. di-n-Nonyl sulfide. 5-Thiadodecane. 6-Thiatetradecane. Octane, 1,1'-thiobis-. Decyl sulfide. Undecyl sulfide. Dodecane, 1,1'-thiobis-. Hexane, 1-(ethylthio)-. Octane, 1-(butylthio)-. heptyl propyl sulfide.

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

Sources

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