Chemical Properties of Di-tert-butyl disulfide (CAS 110-06-5)

Di-tert-butyl disulfide

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InChI
InChI=1S/C8H18S2/c1-7(2,3)9-10-8(4,5)6/h1-6H3
InChI Key
BKCNDTDWDGQHSD-UHFFFAOYSA-N
Formula
C8H18S2
SMILES
CC(C)(C)SSC(C)(C)C
Molecular Weight1
178.36
CAS
110-06-5
Other Names
  • (tert-C4H9S)2
  • 2,2,5,5-Tetramethyl-3,4-dithiahexane
  • 2-(tert-Butyldisulfanyl)-2-methylpropane
  • Bis(1,1-dimethylethyl) disulfide
  • Bis(1,1-dimethylethyl) disulphide
  • Di-tert-butyl disulphide
  • Disulfide, bis(1,1-dimethylethyl)
  • t-Butyl disulfide
  • tert-Butyl disulfide
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Physical Properties

Property Value Unit Source
Δcliquid [-6674.10; -6670.00] kJ/mol Show Hide
Δcliquid -6670.00 ± 1.30 kJ/mol NIST
Δcliquid -6674.10 ± 1.60 kJ/mol NIST
Δf 88.40 kJ/mol Joback Calculated Property
Δfgas [-202.00; -199.80] kJ/mol Show Hide
Δfgas -200.00 kJ/mol NIST
Δfgas -199.80 ± 2.30 kJ/mol NIST
Δfgas -202.00 ± 2.30 kJ/mol NIST
Δfliquid [-253.00; -251.00] kJ/mol Show Hide
Δfliquid -253.00 ± 1.50 kJ/mol NIST
Δfliquid -251.00 ± 1.80 kJ/mol NIST
Δfus 9.91 kJ/mol Joback Calculated Property
Δvap [49.00; 54.27] kJ/mol Show Hide
Δvap 54.27 kJ/mol NIST
Δvap 53.80 kJ/mol NIST
Δvap 52.50 ± 0.20 kJ/mol NIST
Δvap 52.50 kJ/mol NIST
Δvap 53.00 ± 2.00 kJ/mol NIST
Δvap 53.20 kJ/mol NIST
Δvap 53.00 ± 2.00 kJ/mol NIST
Δvap Outlier 49.00 kJ/mol NIST
IE [8.15; 8.20] eV Show Hide
IE 8.15 eV NIST
IE 8.17 eV NIST
IE 8.20 eV NIST
IE 8.17 eV NIST
log10WS -4.15 Crippen Calculated Property
logPoct/wat 3.965 Crippen Calculated Property
McVol 156.280 ml/mol McGowan Calculated Property
Pc 2729.71 kPa Joback Calculated Property
Inp [1122.00; 1122.00]   Show Hide
Inp 1122.00 NIST
Inp 1122.00 NIST
I [1323.00; 1364.00]   Show Hide
I 1323.00 NIST
I 1331.00 NIST
I 1364.00 NIST
I 1323.00 NIST
Tboil 473.70 K NIST
Tc 747.84 K Joback Calculated Property
Tfus 253.56 K Joback Calculated Property
Vc 0.570 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [347.09; 431.83] J/mol×K [513.54; 747.84] Show Hide
Cp,gas 347.09 J/mol×K 513.54 Joback Calculated Property
Cp,gas 363.97 J/mol×K 552.59 Joback Calculated Property
Cp,gas 379.66 J/mol×K 591.64 Joback Calculated Property
Cp,gas 394.24 J/mol×K 630.69 Joback Calculated Property
Cp,gas 407.75 J/mol×K 669.74 Joback Calculated Property
Cp,gas 420.26 J/mol×K 708.79 Joback Calculated Property
Cp,gas 431.83 J/mol×K 747.84 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 361.20 K 2.80 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [360.40; 541.30] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.32257e+01
Coefficient B-3.68705e+03
Coefficient C-7.54240e+01
Temperature range, min.360.40
Temperature range, max.541.30
Pvap 1.33 kPa 360.40 Calculated Property
Pvap 3.13 kPa 380.50 Calculated Property
Pvap 6.60 kPa 400.60 Calculated Property
Pvap 12.77 kPa 420.70 Calculated Property
Pvap 22.98 kPa 440.80 Calculated Property
Pvap 38.89 kPa 460.90 Calculated Property
Pvap 62.48 kPa 481.00 Calculated Property
Pvap 95.97 kPa 501.10 Calculated Property
Pvap 141.83 kPa 521.20 Calculated Property
Pvap 202.65 kPa 541.30 Calculated Property

Similar Compounds

tert-Butyl Methyl disulfide. Disulfide, 1,1-dimethylethyl ethyl. Disulfide, (1-methylethyl) (1,1-dimethylethyl). 2-Methyl-2-(methyldithio)propanal. 2-Propanethiol, 2-methyl-. 6,6-dimethyl-4,5-dithia-1-heptene. Disulfide, bis(1-methylethyl). 2,2-dimethyl-3,4-dithiaheptane. Propyl tert-butyl disulfide. Di-tert-butyl sulfide. 2,2,6-trimethyl-3,4-dithiaheptane. Disulfide, ethyl 1-methylethyl. Propane, 2-methyl-2-(methylthio)-. Methyl isopropyl disulphide. Disulfide, (1,1-dimethylethyl)(1-methylpropyl).

Find more compounds similar to Di-tert-butyl disulfide.

Sources

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