- 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 sulfhydrate
- Ethyl thioalcohol
- Ethylmercaptaan
- Ethylmerkaptan
- Etilmercaptano
- LPG ethyl mercaptan 1010
- Mercaptoethane
- NSC 93877
- Thioethanol
- Thioethyl alcohol
- UN 2363
- ethyl mercaptan
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρc : Critical density (kg/m3).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- Zra : Rackett Parameter.
- 1: Molecular weight from the IUPAC atomic weights tables.
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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 |
| ΔcH°liquid | [-2173.20; -2164.00] | kJ/mol |
|
| ΔcH°liquid | -2173.20 ± 0.42 | kJ/mol | NIST |
| ΔcH°liquid | -2164.00 | kJ/mol | NIST |
| μ | 1.50 | debye | KDB |
| ΔfG° | -4.67 | kJ/mol | KDB |
| ΔfH°gas | [-46.15; -46.14] | kJ/mol |
|
| ΔfH°gas | -46.14 | kJ/mol | KDB |
| ΔfH°gas | -46.15 | kJ/mol | NIST |
| ΔfH°liquid | -73.68 | kJ/mol | NIST |
| ΔfusH° | 4.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [27.30; 27.52] | kJ/mol |
|
| ΔvapH° | 27.52 | kJ/mol | NIST |
| ΔvapH° | 27.30 | kJ/mol | NIST |
| ΔvapH° | 27.50 | kJ/mol | NIST |
| ΔvapH° | 27.50 | kJ/mol | NIST |
| ΔvapH° | 27.30 ± 0.08 | kJ/mol | NIST |
| ΔvapH° | 27.30 ± 0.08 | kJ/mol | NIST |
| IE | [8.69; 9.36] | eV |
|
| 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] |
|
|
| log10WS | -0.60 | Aq. Solubility Prediction | |
| log10WS | -0.60 | Estimated Solubility | |
| logPoct/wat | 0.936 | Crippen Calculated Property | |
| McVol | 55.390 | ml/mol | McGowan Calculated Property |
| Pc | [5490.00; 5490.00] | kPa |
|
| 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] |
|
|
| Inp | 512.60 | NIST | |
| Inp | Outlier 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 | |
| Inp | 496.00 | NIST | |
| I | [731.00; 753.00] |
|
|
| I | 753.00 | NIST | |
| I | 731.00 | NIST | |
| I | 753.00 | NIST | |
| S°liquid | 207.02 | J/mol×K | NIST |
| Tboil | [308.00; 310.00] | K |
|
| Tboil | 308.20 | K | KDB |
| Tboil | 308.20 | K | NIST |
| Tboil | 308.20 | K | NIST |
| Tboil | 308.00 ± 2.00 | K | NIST |
| Tboil | Outlier 310.00 ± 4.00 | K | NIST |
| Tboil | 308.00 ± 2.00 | K | NIST |
| Tboil | 308.19 ± 0.30 | K | NIST |
| Tboil | 308.00 ± 3.00 | K | NIST |
| Tboil | 308.19 ± 0.20 | K | NIST |
| Tboil | 309.00 ± 0.50 | K | NIST |
| Tboil | 308.70 ± 0.50 | K | NIST |
| Tboil | Outlier 310.00 ± 3.00 | K | NIST |
| Tboil | 309.00 ± 1.50 | K | NIST |
| Tboil | 309.00 ± 2.00 | K | NIST |
| Tc | [498.70; 499.00] | K |
|
| 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 |
|
| Tfus | 125.26 | K | KDB |
| Tfus | 125.22 | K | Aq. Solubility Prediction |
| 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 |
|
| Ttriple | 125.25 ± 0.02 | K | NIST |
| Ttriple | 125.26 ± 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] |
|
| 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] |
|
| ΔfusH | 4.97 | kJ/mol | 195.26 | NIST |
| 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] |
|
| 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 | 28.40 | 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] |
|
| Pvap | 25.00 | kPa | 272.94 | Measurement of VLE (TPx or TPxy data) for hydrogen sulfide + (dimethylsulfide or ethylmethylsulfide or carbon disulfide) and methane solubilities in (dimethylsulfide or ethylmethylsulfide or methylmercaptan or ethylmercaptan) |
| Pvap | 59.00 | kPa | 293.36 | Measurement of VLE (TPx or TPxy data) for hydrogen sulfide + (dimethylsulfide or ethylmethylsulfide or carbon disulfide) and methane solubilities in (dimethylsulfide or ethylmethylsulfide or methylmercaptan or ethylmercaptan) |
| Pvap | 121.00 | kPa | 313.41 | Measurement of VLE (TPx or TPxy data) for hydrogen sulfide + (dimethylsulfide or ethylmethylsulfide or carbon disulfide) and methane solubilities in (dimethylsulfide or ethylmethylsulfide or methylmercaptan or ethylmercaptan) |
| ρl | 839.00 | kg/m3 | 293.00 | KDB |
| ΔfusS | [25.48; 25.48] | J/mol×K | [195.26; 195.26] |
|
| ΔfusS | 25.48 | J/mol×K | 195.26 | NIST |
| 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 Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43813e+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 Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 6.28903e+01 | |||
| Coefficient B | -5.16282e+03 | |||
| Coefficient C | -7.36756e+00 | |||
| Coefficient D | 7.37708e-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
Find more compounds similar to Ethanethiol.
Mixtures
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Measurement of VLE (TPx or TPxy data) for hydrogen sulfide + (dimethylsulfide or ethylmethylsulfide or carbon disulfide) and methane solubilities in (dimethylsulfide or ethylmethylsulfide or methylmercaptan or ethylmercaptan)
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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