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
Sources

Physical Properties

Property Value Unit Source
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 -200.00 kJ/mol NIST
Δfgas -199.80 ± 2.30 kJ/mol NIST
Δfgas -202.00 ± 2.30 kJ/mol NIST
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
logPoct/wat 3.96 Crippen Calculated Property
Pc 2729.71 kPa Joback Calculated Property
Tboil 473.70 K NIST
Tboil 361.20 K NIST
Tc 747.84 K Joback Calculated Property
Tfus 253.56 K Joback Calculated Property
Vc 0.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 347.09 J/mol×K 513.54 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-S- 2
-CH3 6
>C< 2

Similar Compounds

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

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