Chemical Properties of 1-Pentanethiol (CAS 110-66-7)

1-Pentanethiol

PDF Excel Molecule Calculator
InChI
InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3
InChI Key
ZRKMQKLGEQPLNS-UHFFFAOYSA-N
Formula
C5H12S
SMILES
CCCCCS
Molecular Weight1
104.21
CAS
110-66-7
Other Names
  • 1-Mercaptopentane
  • 1-Pentanthiol
  • 1-Pentylthiol
  • Amyl hydrosulfide
  • Amyl mercaptan
  • Amyl sulfhydrate
  • Amyl thioalcohol
  • CH3(CH2)4SH
  • Mercaptan amylique
  • Pentalarm
  • Pentane-1-thiol
  • Pentanethiol
  • Pentyl mercaptan
  • n-Amyl mercaptan
  • n-Pentyl mercaptan
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 [-4151.00; -4132.60] kJ/mol Show Hide
Δcliquid -4133.80 kJ/mol NIST
Δcliquid -4132.60 ± 1.50 kJ/mol NIST
Δcliquid -4151.00 kJ/mol NIST
Δf 20.61 kJ/mol Joback Calculated Property
Δfgas [-110.80; -109.70] kJ/mol Show Hide
Δfgas -109.70 kJ/mol NIST
Δfgas -110.80 ± 1.80 kJ/mol NIST
Δfliquid [-152.00; -150.90] kJ/mol Show Hide
Δfliquid -150.90 ± 0.84 kJ/mol NIST
Δfliquid -152.00 ± 1.70 kJ/mol NIST
Δfus 12.75 kJ/mol Joback Calculated Property
Δvap [41.10; 41.26] kJ/mol Show Hide
Δvap 41.26 kJ/mol NIST
Δvap 41.10 kJ/mol NIST
Δvap 41.10 kJ/mol NIST
Δvap 41.20 kJ/mol NIST
log10WS -1.99 Crippen Calculated Property
logPoct/wat 2.106 Crippen Calculated Property
McVol 97.660 ml/mol McGowan Calculated Property
Pc 3745.38 kPa Joback Calculated Property
Inp [795.00; 828.80]   Show Hide
Inp 821.70 NIST
Inp 828.80 NIST
Inp 814.00 NIST
Inp 817.00 NIST
Inp 818.90 NIST
Inp 821.10 NIST
Inp 824.00 NIST
Inp 828.00 NIST
Inp 827.00 NIST
Inp 828.00 NIST
Inp 816.00 NIST
Inp 826.00 NIST
Inp 822.00 NIST
Inp 814.00 NIST
Inp 817.00 NIST
Inp 803.00 NIST
Inp 822.00 NIST
Inp 819.00 NIST
Inp 822.00 NIST
Inp Outlier 795.00 NIST
I [1039.00; 1063.00]   Show Hide
I 1052.90 NIST
I 1047.90 NIST
I 1039.00 NIST
I 1063.00 NIST
liquid 310.37 J/mol×K NIST
Tboil [397.00; 399.80] K Show Hide
Tboil 399.20 K NIST
Tboil 399.00 K NIST
Tboil 399.80 K NIST
Tboil 397.00 ± 2.50 K NIST
Tboil 398.00 ± 1.00 K NIST
Tc 597.70 K NIST
Tfus [197.50; 197.50] K Show Hide
Tfus 197.50 ± 0.50 K NIST
Tfus 197.50 ± 0.30 K NIST
Ttriple [197.45; 197.46] K Show Hide
Ttriple 197.45 ± 0.02 K NIST
Ttriple 197.46 ± 0.02 K NIST
Vc 0.369 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [168.36; 222.90] J/mol×K [376.66; 566.46] Show Hide
Cp,gas 168.36 J/mol×K 376.66 Joback Calculated Property
Cp,gas 178.44 J/mol×K 408.29 Joback Calculated Property
Cp,gas 188.11 J/mol×K 439.93 Joback Calculated Property
Cp,gas 197.38 J/mol×K 471.56 Joback Calculated Property
Cp,gas 206.26 J/mol×K 503.19 Joback Calculated Property
Cp,gas 214.76 J/mol×K 534.82 Joback Calculated Property
Cp,gas 222.90 J/mol×K 566.46 Joback Calculated Property
Cp,liquid 201.17 J/mol×K 296.21 NIST
ΔfusH [17.53; 17.53] kJ/mol [197.46; 197.50] Show Hide
ΔfusH 17.53 kJ/mol 197.46 NIST
ΔfusH 17.53 kJ/mol 197.50 NIST
ΔfusH 17.53 kJ/mol 197.50 NIST
ΔvapH [34.88; 40.60] kJ/mol [356.00; 400.00] Show Hide
ΔvapH 37.10 ± 0.10 kJ/mol 356.00 NIST
ΔvapH 40.60 kJ/mol 363.00 NIST
ΔvapH 36.40 ± 0.10 kJ/mol 376.00 NIST
ΔvapH 38.10 kJ/mol 393.50 NIST
ΔvapH 34.88 kJ/mol 399.80 NIST
ΔvapH 34.90 ± 0.10 kJ/mol 400.00 NIST
ΔfusS 88.78 J/mol×K 197.46 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [300.23; 422.88] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.54679e+01
Coefficient B-3.76382e+03
Coefficient C-5.22920e+01
Temperature range, min.300.23
Temperature range, max.422.88
Pvap 1.33 kPa 300.23 Calculated Property
Pvap 2.94 kPa 313.86 Calculated Property
Pvap 6.00 kPa 327.49 Calculated Property
Pvap 11.43 kPa 341.11 Calculated Property
Pvap 20.56 kPa 354.74 Calculated Property
Pvap 35.16 kPa 368.37 Calculated Property
Pvap 57.52 kPa 382.00 Calculated Property
Pvap 90.50 kPa 395.62 Calculated Property
Pvap 137.53 kPa 409.25 Calculated Property
Pvap 202.67 kPa 422.88 Calculated Property
Pvap [1.96e-04; 3365.99] kPa [197.45; 598.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.71980e+01
Coefficient B-7.40124e+03
Coefficient C-9.16808e+00
Coefficient D5.36099e-06
Temperature range, min.197.45
Temperature range, max.598.00
Pvap 1.96e-04 kPa 197.45 Calculated Property
Pvap 0.03 kPa 241.96 Calculated Property
Pvap 0.93 kPa 286.46 Calculated Property
Pvap 9.29 kPa 330.97 Calculated Property
Pvap 49.00 kPa 375.47 Calculated Property
Pvap 171.33 kPa 419.98 Calculated Property
Pvap 454.74 kPa 464.48 Calculated Property
Pvap 998.64 kPa 508.99 Calculated Property
Pvap 1921.00 kPa 553.49 Calculated Property
Pvap 3365.99 kPa 598.00 Calculated Property

Similar Compounds

1-Hexanethiol. 1,5-Pentanedithiol. 1-Heptanethiol. 1-Nonadecanethiol. 1-Docosanethiol. 1-Pentadecanethiol. 1-Nonanethiol. Tetradecanethiol. 1-Undecanethiol. 1-Dodecanethiol. 1-Tridecanethiol. 1-Eicosanethiol. 1-Hexadecanethiol. 1-Octadecanethiol. Heptadecyl mercaptan.

Find more compounds similar to 1-Pentanethiol.

Mixtures

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.