Chemical Properties of 1-Dodecanethiol (CAS 112-55-0)

1-Dodecanethiol

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InChI
InChI=1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
InChI Key
WNAHIZMDSQCWRP-UHFFFAOYSA-N
Formula
C12H26S
SMILES
CCCCCCCCCCCCS
Molecular Weight1
202.40
CAS
112-55-0
Other Names
  • 1-Dodecyl mercaptan
  • 1-Dodecylthiol
  • 1-Mercaptododecane
  • Dodecane-1-thiol
  • Dodecanethiol-(1)
  • Dodecyl mercaptan
  • Dodecylthiol
  • Lauryl mercaptan
  • N-DODECANETHIOL
  • N-LAURYL MERCAPTAN
  • NCI-C60935
  • NSC 814
  • Pennfloat M
  • Pennfloat S
  • n-Dodecyl mercaptan
  • n-Dodecylthiol
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Physical Properties

Property Value Unit Source
Δf 79.55 kJ/mol Joback Calculated Property
Δfgas -252.53 kJ/mol Joback Calculated Property
Δfus 30.88 kJ/mol Joback Calculated Property
Δvap 49.04 kJ/mol Joback Calculated Property
log10WS -4.92 Crippen Calculated Property
logPoct/wat 4.837 Crippen Calculated Property
McVol 196.290 ml/mol McGowan Calculated Property
Pc 1810.00 kPa Critica...
Inp [1520.00; 1536.00]   Show Hide
Inp 1536.00 NIST
Inp 1520.00 NIST
Inp 1536.00 NIST
I [1773.00; 1773.00]   Show Hide
I 1773.00 NIST
I 1773.00 NIST
Tboil 547.70 K NIST
Tc 715.23 K Joback Calculated Property
Tfus 261.46 K Joback Calculated Property
Vc 0.761 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [469.06; 561.47] J/mol×K [536.82; 715.23] Show Hide
Cp,gas 469.06 J/mol×K 536.82 Joback Calculated Property
Cp,gas 486.24 J/mol×K 566.56 Joback Calculated Property
Cp,gas 502.67 J/mol×K 596.29 Joback Calculated Property
Cp,gas 518.40 J/mol×K 626.03 Joback Calculated Property
Cp,gas 533.42 J/mol×K 655.76 Joback Calculated Property
Cp,gas 547.77 J/mol×K 685.50 Joback Calculated Property
Cp,gas 561.47 J/mol×K 715.23 Joback Calculated Property
Cp,liquid 442.81 J/mol×K 300.00 NIST
ΔvapH 62.00 kJ/mol 500.50 NIST
n0 1.45860 298.20 Solubil...

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 416.70 K 2.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [418.60; 578.53] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.55265e+01
Coefficient B-4.95533e+03
Coefficient C-9.34240e+01
Temperature range, min.418.60
Temperature range, max.578.53
Pvap 1.33 kPa 418.60 Calculated Property
Pvap 2.94 kPa 436.37 Calculated Property
Pvap 5.98 kPa 454.14 Calculated Property
Pvap 11.40 kPa 471.91 Calculated Property
Pvap 20.51 kPa 489.68 Calculated Property
Pvap 35.09 kPa 507.45 Calculated Property
Pvap 57.42 kPa 525.22 Calculated Property
Pvap 90.38 kPa 542.99 Calculated Property
Pvap 137.44 kPa 560.76 Calculated Property
Pvap 202.67 kPa 578.53 Calculated Property
Pvap [2.92e-05; 1862.69] kPa [265.15; 724.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.42315e+02
Coefficient B-1.35158e+04
Coefficient C-1.83538e+01
Coefficient D9.03950e-06
Temperature range, min.265.15
Temperature range, max.724.00
Pvap 2.92e-05 kPa 265.15 Calculated Property
Pvap 5.62e-03 kPa 316.13 Calculated Property
Pvap 0.19 kPa 367.12 Calculated Property
Pvap 2.20 kPa 418.10 Calculated Property
Pvap 13.48 kPa 469.08 Calculated Property
Pvap 53.95 kPa 520.07 Calculated Property
Pvap 163.17 kPa 571.05 Calculated Property
Pvap 409.51 kPa 622.03 Calculated Property
Pvap 908.66 kPa 673.02 Calculated Property
Pvap 1862.69 kPa 724.00 Calculated Property

Similar Compounds

1-Undecanethiol. 1-Octadecanethiol. 1-Nonanethiol. 1-Hexadecanethiol. 1-Decanethiol. 1-Tridecanethiol. 1-Nonadecanethiol. 1-Octanethiol. Heptadecyl mercaptan. 1-Docosanethiol. 1-Eicosanethiol. Tetradecanethiol. 1-Pentadecanethiol. 1-Heptanethiol. 1-Hexanethiol.

Find more compounds similar to 1-Dodecanethiol.

Mixtures

Sources

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