Chemical Properties of Ethanethiol (CAS 75-08-1)

Ethanethiol

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InChI
InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3
InChI Key
DNJIEGIFACGWOD-UHFFFAOYSA-N
Formula
C2H6S
SMILES
CCS
Molecular Weight1
62.13
CAS
75-08-1
Other Names
  • 1-Ethylthiol
  • 1-Mercaptoethane
  • Aethanethiol
  • Aethylmercaptan
  • C2H5SH
  • Etantiolo
  • Ethaanthiol
  • Ethyl hydrosulfide
  • Ethyl mercaptan
  • Ethyl sulfhydrate
  • Ethyl thioalcohol
  • Ethylmercaptaan
  • Ethylmerkaptan
  • Etilmercaptano
  • LPG ethyl mercaptan 1010
  • Mercaptoethane
  • NSC 93877
  • Thioethanol
  • Thioethyl alcohol
  • UN 2363
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Physical Properties

Property Value Unit Source
ω 0.1910 KDB
PAff 789.60 kJ/mol NIST
BasG 758.40 kJ/mol NIST
Δcliquid [-2173.20; -2164.00] kJ/mol Show Hide
Δcliquid -2173.20 ± 0.42 kJ/mol NIST
Δcliquid -2164.00 kJ/mol NIST
μ 1.50 debye KDB
Δf -4.67 kJ/mol KDB
Δfgas [-46.15; -46.14] kJ/mol Show Hide
Δfgas -46.14 kJ/mol KDB
Δfgas -46.15 kJ/mol NIST
Δfliquid -73.68 kJ/mol NIST
Δfus 4.98 kJ/mol Joback Calculated Property
Δvap [27.30; 27.52] kJ/mol Show Hide
Δvap 27.52 kJ/mol NIST
Δvap 27.30 kJ/mol NIST
Δvap 27.50 kJ/mol NIST
Δvap 27.50 kJ/mol NIST
Δvap 27.30 ± 0.08 kJ/mol NIST
IE [8.69; 9.36] eV Show Hide
IE 9.31 ± 0.03 eV NIST
IE 9.28 eV NIST
IE 9.30 eV NIST
IE 9.36 eV NIST
IE Outlier 8.69 eV NIST
IE 9.29 eV NIST
IE 9.30 ± 0.10 eV NIST
IE 9.29 ± 0.01 eV NIST
log10WS [-0.60; -0.60]   Show Hide
log10WS -0.60 Aq. Sol...
log10WS -0.60 Estimat...
logPoct/wat 0.936 Crippen Calculated Property
McVol 55.390 ml/mol McGowan Calculated Property
Pc [5490.00; 5490.00] kPa Show Hide
Pc 5490.00 kPa KDB
Pc 5490.00 ± 50.66 kPa NIST
ρc 299.61 ± 1.86 kg/m3 NIST
Inp [482.00; 528.50]   Show Hide
Inp 512.60 NIST
Inp 528.50 NIST
Inp 517.40 NIST
Inp 514.20 NIST
Inp 517.00 NIST
Inp 482.00 NIST
Inp 484.00 NIST
Inp 505.00 NIST
Inp 500.00 NIST
Inp 517.00 NIST
Inp 513.00 NIST
Inp 517.00 NIST
Inp 514.00 NIST
Inp 520.00 NIST
Inp 502.00 NIST
Inp 482.00 NIST
Inp 496.00 NIST
Inp 500.00 NIST
Inp 501.00 NIST
Inp 500.00 NIST
Inp 500.00 NIST
Inp 496.00 NIST
Inp 502.00 NIST
Inp 502.00 NIST
Inp 490.00 NIST
I [731.00; 753.00]   Show Hide
I 753.00 NIST
I 731.00 NIST
I 753.00 NIST
liquid 207.02 J/mol×K NIST
Tboil 308.20 K KDB
Tc [498.70; 499.00] K Show Hide
Tc 499.00 K KDB
Tc 499.00 K NIST
Tc 498.70 ± 0.40 K NIST
Tc 498.80 ± 0.40 K NIST
Tfus [125.22; 126.15] K Show Hide
Tfus 125.22 K Aq. Sol...
Tfus 125.26 K KDB
Tfus 126.08 ± 0.10 K NIST
Tfus 125.90 ± 0.50 K NIST
Tfus 125.90 ± 0.40 K NIST
Tfus 126.15 ± 0.60 K NIST
Ttriple [125.25; 125.26] K Show Hide
Ttriple 125.25 ± 0.02 K NIST
Ttriple 125.26 ± 0.02 K NIST
Vc 0.207 m3/kmol KDB
Zc 0.2739080 KDB
Zra 0.27 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [74.41; 101.79] J/mol×K [308.02; 498.79] Show Hide
Cp,gas 74.41 J/mol×K 308.02 Joback Calculated Property
Cp,gas 79.41 J/mol×K 339.82 Joback Calculated Property
Cp,gas 84.23 J/mol×K 371.61 Joback Calculated Property
Cp,gas 88.88 J/mol×K 403.41 Joback Calculated Property
Cp,gas 93.35 J/mol×K 435.20 Joback Calculated Property
Cp,gas 97.65 J/mol×K 467.00 Joback Calculated Property
Cp,gas 101.79 J/mol×K 498.79 Joback Calculated Property
Cp,liquid 117.99 J/mol×K 299.05 NIST
ΔfusH [4.97; 4.97] kJ/mol [195.26; 195.30] Show Hide
ΔfusH 4.97 kJ/mol 195.26 NIST
ΔfusH 4.97 kJ/mol 195.30 NIST
ΔfusH 4.97 kJ/mol 195.30 NIST
ΔvapH [26.30; 28.70] kJ/mol [293.00; 470.50] Show Hide
ΔvapH 28.40 kJ/mol 293.00 NIST
ΔvapH 28.40 kJ/mol 306.00 NIST
ΔvapH 28.40 kJ/mol 306.00 NIST
ΔvapH 28.70 kJ/mol 306.00 NIST
ΔvapH 26.79 kJ/mol 308.20 NIST
ΔvapH 26.78 kJ/mol 308.70 KDB
ΔvapH 27.50 kJ/mol 339.00 NIST
ΔvapH 26.30 kJ/mol 356.50 NIST
ΔvapH 26.60 kJ/mol 470.50 NIST
Pvap [25.00; 121.00] kPa [272.94; 313.41] Show Hide
Pvap 25.00 kPa 272.94 Measure...
Pvap 59.00 kPa 293.36 Measure...
Pvap 121.00 kPa 313.41 Measure...
ρl 839.00 kg/m3 293.00 KDB
ΔfusS 25.48 J/mol×K 195.26 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 5186.77] kPa [222.48; 499.15] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.43813e+01
Coefficient B-2.74888e+03
Coefficient C-2.74390e+01
Temperature range, min.222.48
Temperature range, max.499.15
Pvap 1.33 kPa 222.48 Calculated Property
Pvap 9.08 kPa 253.22 Calculated Property
Pvap 39.07 kPa 283.96 Calculated Property
Pvap 123.00 kPa 314.70 Calculated Property
Pvap 310.20 kPa 345.44 Calculated Property
Pvap 664.58 kPa 376.19 Calculated Property
Pvap 1258.49 kPa 406.93 Calculated Property
Pvap 2165.67 kPa 437.67 Calculated Property
Pvap 3455.14 kPa 468.41 Calculated Property
Pvap 5186.77 kPa 499.15 Calculated Property
Pvap [1.02e-06; 5492.66] kPa [125.26; 499.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A6.28903e+01
Coefficient B-5.16282e+03
Coefficient C-7.36756e+00
Coefficient D7.37708e-06
Temperature range, min.125.26
Temperature range, max.499.15
Pvap 1.02e-06 kPa 125.26 Calculated Property
Pvap 3.87e-03 kPa 166.80 Calculated Property
Pvap 0.40 kPa 208.35 Calculated Property
Pvap 7.49 kPa 249.89 Calculated Property
Pvap 54.17 kPa 291.43 Calculated Property
Pvap 224.06 kPa 332.98 Calculated Property
Pvap 653.53 kPa 374.52 Calculated Property
Pvap 1519.43 kPa 416.06 Calculated Property
Pvap 3038.65 kPa 457.61 Calculated Property
Pvap 5492.66 kPa 499.15 Calculated Property

Similar Compounds

1,2-Ethanedithiol. 1,1-Ethanedithiol. mercaptoacetaldehyde. Thiocyanic acid, ethyl ester. Thiirane. 2-Propanethiol. Propyl mercaptan. Ethanol, 2-mercapto-. Ethane, (methylthio)-. Diethyl sulfide. Methyl ethyl disulfide. 2-propyne-1-thiol. Ethyl thioformate. Thioacetic acid. Trisulfide, diethyl.

Find more compounds similar to Ethanethiol.

Mixtures

Sources

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