Chemical Properties of 1,4-Benzenedimethanethiol (CAS 105-09-9)

1,4-Benzenedimethanethiol

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InChI
InChI=1S/C8H10S2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2
InChI Key
IYPNRTQAOXLCQW-UHFFFAOYSA-N
Formula
C8H10S2
SMILES
SCc1ccc(CS)cc1
Molecular Weight1
170.29
CAS
105-09-9
Other Names
  • 1,4-Benzenebis(methanethiol)
  • 1,4-Bis(mercaptomethyl)benzene
  • 4-(Sulfanylmethyl)benzyl hydrosulfide
  • p-Xylene-«alpha»,«alpha»'-dithiol
  • p-Xylylenedithiol
  • «alpha»,«alpha»'-p-Xylenedithiol
Sources

Physical Properties

Property Value Unit Source
Δf 178.04 kJ/mol Joback Calculated Property
Δfgas 93.57 kJ/mol Joback Calculated Property
Δfus 18.21 kJ/mol Joback Calculated Property
Δvap 49.81 kJ/mol Joback Calculated Property
logPoct/wat 2.55 Crippen Calculated Property
Pc 4205.63 kPa Joback Calculated Property
Tboil 429.00 K NIST
Tc 800.21 K Joback Calculated Property
Tfus 319.50 ± 0.50 K NIST
Vc 0.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 265.44 J/mol×K 539.82 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-CH2- 2
=CH- (ring) 4
-SH 2

Similar Compounds

P-xylene-alpha-thiol. Benzenemethanethiol. Benzene, 1,4-bis(methylthiomethyl)-. Benzyl methyl sulfide. M-xylene-.alpha.,.alpha.'-dithiol. p-Xylene. 4-Methylbenzyl radical. Thiocyanic acid benzyl ester. Benzene, [(ethylthio)methyl]-. 1,4-Benzenedimethanethiol, s,s'-bis(trimethylsilyl)-. 1-Phenylethanethiol. Benzyl methyl disulfide. 1,4-Benzenedimethanethiol, s,s'-diacetyl-. 1,4-Benzenedimethanethiol, s-acetyl-. Benzene, 1,1'-[thiobis(methylene)]bis-.

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