Chemical Properties of 1,4-Butanedithiol (CAS 1191-08-8)

1,4-Butanedithiol

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InChI
InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2
InChI Key
SMTOKHQOVJRXLK-UHFFFAOYSA-N
Formula
C4H10S2
SMILES
SCCCCS
Molecular Weight1
122.25
CAS
1191-08-8
Other Names
  • 1,4-Dimercaptobutane
  • Tetramethylene dimercaptan
  • Tetramethylenedithiol
  • butane-1,4-dithiol
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Physical Properties

Property Value Unit Source
Δcliquid -4102.20 ± 1.70 kJ/mol NIST
Δf 41.58 kJ/mol Joback Calculated Property
Δfgas -50.50 ± 1.80 kJ/mol NIST
Δfliquid -105.80 ± 1.80 kJ/mol NIST
Δfus 14.20 kJ/mol Joback Calculated Property
Δvap [54.90; 55.30] kJ/mol Show Hide
Δvap 55.10 kJ/mol NIST
Δvap 55.30 ± 0.40 kJ/mol NIST
Δvap 55.30 kJ/mol NIST
Δvap 55.30 kJ/mol NIST
Δvap 54.90 kJ/mol NIST
log10WS -1.64 Crippen Calculated Property
logPoct/wat 1.626 Crippen Calculated Property
McVol 99.920 ml/mol McGowan Calculated Property
Pc 4602.62 kPa Joback Calculated Property
Inp [1035.00; 1063.00]   Show Hide
Inp 1063.00 NIST
Inp 1035.00 NIST
Inp 1063.00 NIST
Inp 1063.00 NIST
I [1566.00; 1574.00]   Show Hide
I 1566.00 NIST
I 1574.00 NIST
I 1574.00 NIST
Tboil 468.70 K NIST
Tc 634.88 K Joback Calculated Property
Tfus 207.76 K Joback Calculated Property
Vc 0.367 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [173.71; 223.37] J/mol×K [416.64; 634.88] Show Hide
Cp,gas 173.71 J/mol×K 416.64 Joback Calculated Property
Cp,gas 183.09 J/mol×K 453.01 Joback Calculated Property
Cp,gas 192.02 J/mol×K 489.39 Joback Calculated Property
Cp,gas 200.49 J/mol×K 525.76 Joback Calculated Property
Cp,gas 208.53 J/mol×K 562.14 Joback Calculated Property
Cp,gas 216.16 J/mol×K 598.51 Joback Calculated Property
Cp,gas 223.37 J/mol×K 634.88 Joback Calculated Property
ΔvapH 50.90 kJ/mol 408.00 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 378.70 K 4.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [347.68; 498.95] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.42534e+01
Coefficient B-3.76018e+03
Coefficient C-7.84410e+01
Temperature range, min.347.68
Temperature range, max.498.95
Pvap 1.33 kPa 347.68 Calculated Property
Pvap 3.03 kPa 364.49 Calculated Property
Pvap 6.28 kPa 381.30 Calculated Property
Pvap 12.07 kPa 398.10 Calculated Property
Pvap 21.72 kPa 414.91 Calculated Property
Pvap 36.96 kPa 431.72 Calculated Property
Pvap 59.93 kPa 448.53 Calculated Property
Pvap 93.18 kPa 465.33 Calculated Property
Pvap 139.65 kPa 482.14 Calculated Property
Pvap 202.64 kPa 498.95 Calculated Property

Similar Compounds

1-Butanethiol. 1,5-Pentanedithiol. 1-Pentanethiol. 1-Butanethiol, 4-(methylthio)-. 1,6-Hexanedithiol. 1,9-Nonanedithiol. 1,10-Decanedithiol. 1-Hexanethiol. 1-Heptanethiol. 1-Butanethiol, 3-methyl-. 1-Nonanethiol. 1-Octadecanethiol. 1-Eicosanethiol. 1-Octanethiol. 1-Nonadecanethiol.

Find more compounds similar to 1,4-Butanedithiol.

Sources

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