Chemical Properties of 1,3-Propanedithiol (CAS 109-80-8)

1,3-Propanedithiol

PDF Excel Molecule Calculator
InChI
InChI=1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2
InChI Key
ZJLMKPKYJBQJNH-UHFFFAOYSA-N
Formula
C3H8S2
SMILES
SCCCS
Molecular Weight1
108.23
CAS
109-80-8
Other Names
  • 1,3-Dimercaptopropane
  • 1,3-Propanedimercaptan
  • Dithiotrimethyleneglycol
  • NDR-132
  • Trimethylene dimercaptan
  • Trimethylenedithioglycol
  • Trimethylenedithiol
  • propane-1,3-dithiol
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δcliquid -3449.20 ± 1.10 kJ/mol NIST
Δf 33.16 kJ/mol Joback Calculated Property
Δfgas -29.80 ± 1.20 kJ/mol NIST
Δfliquid -79.50 ± 1.20 kJ/mol NIST
Δfus 11.61 kJ/mol Joback Calculated Property
Δvap [49.66; 49.70] kJ/mol Show Hide
Δvap 49.66 kJ/mol NIST
Δvap 49.70 ± 0.10 kJ/mol NIST
Δvap 49.70 kJ/mol NIST
Δvap 49.70 kJ/mol NIST
log10WS -1.22 Crippen Calculated Property
logPoct/wat 1.236 Crippen Calculated Property
McVol 85.830 ml/mol McGowan Calculated Property
Pc 5266.25 kPa Joback Calculated Property
Inp [861.00; 951.00]   Show Hide
Inp 951.00 NIST
Inp 921.00 NIST
Inp 951.00 NIST
Inp 898.00 NIST
Inp 861.00 NIST
I [1448.00; 1457.00]   Show Hide
I 1448.00 NIST
I 1457.00 NIST
I 1448.00 NIST
Tboil 442.20 K NIST
Tc 614.54 K Joback Calculated Property
Tfus 196.49 K Joback Calculated Property
Vc 0.311 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [138.78; 179.70] J/mol×K [393.76; 614.54] Show Hide
Cp,gas 138.78 J/mol×K 393.76 Joback Calculated Property
Cp,gas 146.50 J/mol×K 430.56 Joback Calculated Property
Cp,gas 153.84 J/mol×K 467.35 Joback Calculated Property
Cp,gas 160.82 J/mol×K 504.15 Joback Calculated Property
Cp,gas 167.45 J/mol×K 540.94 Joback Calculated Property
Cp,gas 173.74 J/mol×K 577.74 Joback Calculated Property
Cp,gas 179.70 J/mol×K 614.54 Joback Calculated Property
ΔvapH [41.60; 50.90] kJ/mol [392.00; 411.50] Show Hide
ΔvapH 50.90 kJ/mol 392.00 NIST
ΔvapH 41.60 kJ/mol 411.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 214.84] kPa [321.00; 473.19] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.61058e+01
Coefficient B-5.08533e+03
Coefficient C4.84000e-01
Temperature range, min.321.00
Temperature range, max.473.19
Pvap 1.33 kPa 321.00 Calculated Property
Pvap 2.94 kPa 337.91 Calculated Property
Pvap 6.01 kPa 354.82 Calculated Property
Pvap 11.51 kPa 371.73 Calculated Property
Pvap 20.85 kPa 388.64 Calculated Property
Pvap 35.92 kPa 405.55 Calculated Property
Pvap 59.27 kPa 422.46 Calculated Property
Pvap 94.11 kPa 439.37 Calculated Property
Pvap 144.38 kPa 456.28 Calculated Property
Pvap 214.84 kPa 473.19 Calculated Property

Similar Compounds

Propyl mercaptan. 4-Thia-1-pentanethiol. 3-Mercaptopropanal. 4-Thia-1-hexanethiol. 1,4-Butanedithiol. 1-Butanethiol. 1-Propanethiol, 2-methyl-. 1,1-Propanedithiol. 1,3-Butanedithiol. 1,2-Propanedithiol. 3-Mercaptopropanol. 1-Propanol, 3-mercapto-. 3-Mercapto-1-propanol. 1,2-Dithiolane. 1,2,3-Trithiacyclohexane.

Find more compounds similar to 1,3-Propanedithiol.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.