- InChI
- InChI=1S/C3H8S2/c1-3-5-4-2/h3H2,1-2H3
- InChI Key
- XLTBPTGNNLIKRW-UHFFFAOYSA-N
- Formula
- C3H8S2
- SMILES
- CCSSC
- Molecular Weight1
- 108.23
- CAS
- 20333-39-5
- Other Names
-
- 2,3-Dithiapentane
- Disulfide, ethyl methyl
- Ethanesulfenothioic acid, methyl ester
- Ethyl methyl disulfide
- Methyl ethyl disulphide
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (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).
- Ptriple : Triple Point Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- λ : Gas thermal conductivity (W/m×K).
- λ : Liquid thermal conductivity (W/m×K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- UQi : UNIQUAC Qi Parameter.
- URi : UNIQUAC Ri Parameter.
- 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 | 0.3010 | ChemSep v8.3 pure component data | |
| μ | 2.47 | debye | ChemSep v8.3 pure component data |
| ΔfG° | 17.09 | kJ/mol | ChemSep v8.3 pure component data |
| ΔfH°gas | [-49.40; -49.40] | kJ/mol |
|
| ΔfH°gas | -49.40 | kJ/mol | ChemSep v8.3 pure component data |
| ΔfH°gas | -49.40 | kJ/mol | NIST |
| ΔfusH° | 11.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.018 | Crippen Calculated Property | |
| McVol | 85.830 | ml/mol | McGowan Calculated Property |
| Pc | 4615.00 | kPa | ChemSep v8.3 pure component data |
| Ptriple | 4.16e-05 | kPa | ChemSep v8.3 pure component data |
| Inp | [815.00; 872.00] |
|
|
| Inp | 833.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 830.00 | NIST | |
| Inp | 861.00 | NIST | |
| Inp | 861.00 | NIST | |
| Inp | 815.00 | NIST | |
| Inp | 821.00 | NIST | |
| Inp | 815.00 | NIST | |
| Inp | 839.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 821.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 872.00 | NIST | |
| Inp | 869.00 | NIST | |
| Inp | 854.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 839.00 | NIST | |
| Inp | 833.00 | NIST | |
| Inp | 861.00 | NIST | |
| I | [1118.00; 1190.00] |
|
|
| I | 1178.00 | NIST | |
| I | 1156.00 | NIST | |
| I | 1148.00 | NIST | |
| I | 1178.30 | NIST | |
| I | Outlier 1118.00 | NIST | |
| I | 1155.00 | NIST | |
| I | 1151.00 | NIST | |
| I | 1141.00 | NIST | |
| I | 1190.00 | NIST | |
| I | 1156.00 | NIST | |
| I | 1178.00 | NIST | |
| I | 1148.00 | NIST | |
| I | 1178.30 | NIST | |
| Tboil | 407.15 | K | ChemSep v8.3 pure component data |
| Tc | 628.90 | K | ChemSep v8.3 pure component data |
| Tfus | 183.22 | K | ChemSep v8.3 pure component data |
| Ttriple | 183.22 | K | ChemSep v8.3 pure component data |
| UQi | 3.28 | ChemSep v8.3 pure component data | |
| URi | 3.90 | ChemSep v8.3 pure component data | |
| Vc | 0.312 | m3/kmol | ChemSep v8.3 pure component data |
| Zc | 0.2750000 | ChemSep v8.3 pure component data | |
| Zra | 0.28 | ChemSep v8.3 pure component data |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [111.67; 263.84] | J/mol×K | [273.00; 1500.00] |
ChemSep v8.3 pure component data
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 8.41490e+01 | |||
| Coefficient B | -6.28710e+02 | |||
| Coefficient C | 5.65624e+00 | |||
| Coefficient D | -1.65200e-04 | |||
| Coefficient E | 8.97540e-08 | |||
| Comment | ChemSep eq 16, IdealGasHeatCapacityCp | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 111.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 142.57 | J/mol×K | 409.33 | Calculated Property |
| Cp,gas | 168.98 | J/mol×K | 545.67 | Calculated Property |
| Cp,gas | 190.15 | J/mol×K | 682.00 | Calculated Property |
| Cp,gas | 207.23 | J/mol×K | 818.33 | Calculated Property |
| Cp,gas | 221.39 | J/mol×K | 954.67 | Calculated Property |
| Cp,gas | 233.54 | J/mol×K | 1091.00 | Calculated Property |
| Cp,gas | 244.35 | J/mol×K | 1227.33 | Calculated Property |
| Cp,gas | 254.32 | J/mol×K | 1363.67 | Calculated Property |
| Cp,gas | 263.84 | J/mol×K | 1500.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [167.86; 274.69] | J/mol×K | [183.22; 628.22] |
ChemSep v8.3 pure component data
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,liquid in J/mol×K, T in K | |||
| Coefficient A | 1.87520e+02 | |||
| Coefficient B | -2.08620e-01 | |||
| Coefficient C | 5.52950e-04 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | ChemSep eq 100, LiquidHeatCapacityCp | |||
| Temperature range, min. | 183.22 | |||
| Temperature range, max. | 628.22 | |||
| Cp,liquid | 167.86 | J/mol×K | 183.22 | Calculated Property |
| Cp,liquid | 168.91 | J/mol×K | 232.66 | Calculated Property |
| Cp,liquid | 172.67 | J/mol×K | 282.11 | Calculated Property |
| Cp,liquid | 179.14 | J/mol×K | 331.55 | Calculated Property |
| Cp,liquid | 188.30 | J/mol×K | 381.00 | Calculated Property |
| Cp,liquid | 200.17 | J/mol×K | 430.44 | Calculated Property |
| Cp,liquid | 214.75 | J/mol×K | 479.89 | Calculated Property |
| Cp,liquid | 232.02 | J/mol×K | 529.33 | Calculated Property |
| Cp,liquid | 252.00 | J/mol×K | 578.78 | Calculated Property |
| Cp,liquid | 274.69 | J/mol×K | 628.22 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0083123; 0.0001153] | Pa×s | [183.22; 529.00] |
ChemSep v8.3 pure component data
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -7.44529e+01 | |||
| Coefficient B | 3.20496e+03 | |||
| Coefficient C | 1.01053e+01 | |||
| Coefficient D | -1.44504e-05 | |||
| Coefficient E | 2.00000e+00 | |||
| Comment | ChemSep eq 101, LiquidViscosity | |||
| Temperature range, min. | 183.22 | |||
| Temperature range, max. | 529.00 | |||
| η | 0.0083123 | Pa×s | 183.22 | Calculated Property |
| η | 0.0021912 | Pa×s | 221.64 | Calculated Property |
| η | 0.0009962 | Pa×s | 260.06 | Calculated Property |
| η | 0.0006018 | Pa×s | 298.48 | Calculated Property |
| η | 0.0004225 | Pa×s | 336.90 | Calculated Property |
| η | 0.0003200 | Pa×s | 375.32 | Calculated Property |
| η | 0.0002502 | Pa×s | 413.74 | Calculated Property |
| η | 0.0001965 | Pa×s | 452.16 | Calculated Property |
| η | 0.0001523 | Pa×s | 490.58 | Calculated Property |
| η | 0.0001153 | Pa×s | 529.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [42.83; 0.00] | kJ/mol | [183.22; 628.90] |
ChemSep v8.3 pure component data
|
| Equation | Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K | |||
| Coefficient A | 4.82160e+01 | |||
| Coefficient B | 4.86330e-01 | |||
| Coefficient C | -6.27900e-01 | |||
| Coefficient D | 4.76000e-01 | |||
| Coefficient E | 0.00000e+00 | |||
| Critical temperature, Tc (K) | 6.28900e+02 | |||
| Comment | ChemSep eq 106, HeatOfVaporization | |||
| Temperature range, min. | 183.22 | |||
| Temperature range, max. | 628.90 | |||
| ΔvapH | 42.83 | kJ/mol | 183.22 | Calculated Property |
| ΔvapH | 41.60 | kJ/mol | 232.74 | Calculated Property |
| ΔvapH | 40.32 | kJ/mol | 282.26 | Calculated Property |
| ΔvapH | 38.86 | kJ/mol | 331.78 | Calculated Property |
| ΔvapH | 37.12 | kJ/mol | 381.30 | Calculated Property |
| ΔvapH | 34.91 | kJ/mol | 430.82 | Calculated Property |
| ΔvapH | 31.98 | kJ/mol | 480.34 | Calculated Property |
| ΔvapH | 27.94 | kJ/mol | 529.86 | Calculated Property |
| ΔvapH | 21.83 | kJ/mol | 579.38 | Calculated Property |
| ΔvapH | 0.00 | kJ/mol | 628.90 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 341.95] | kPa | [302.12; 436.88] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.59997e+01 | |||
| Coefficient B | -3.88008e+03 | |||
| Coefficient C | -5.51720e+01 | |||
| Temperature range, min. | 302.12 | |||
| Temperature range, max. | 436.88 | |||
| Pvap | 1.33 | kPa | 302.12 | Calculated Property |
| Pvap | 3.27 | kPa | 317.09 | Calculated Property |
| Pvap | 7.29 | kPa | 332.07 | Calculated Property |
| Pvap | 14.97 | kPa | 347.04 | Calculated Property |
| Pvap | 28.63 | kPa | 362.01 | Calculated Property |
| Pvap | 51.56 | kPa | 376.99 | Calculated Property |
| Pvap | 88.14 | kPa | 391.96 | Calculated Property |
| Pvap | 143.92 | kPa | 406.93 | Calculated Property |
| Pvap | 225.80 | kPa | 421.91 | Calculated Property |
| Pvap | 341.95 | kPa | 436.88 | Calculated Property |
| Pvap | [8.40e-06; 4620.71] | kPa | [183.22; 628.90] |
ChemSep v8.3 pure component data
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K | |||
| Coefficient A | 8.91192e+01 | |||
| Coefficient B | -8.03840e+03 | |||
| Coefficient C | -1.09720e+01 | |||
| Coefficient D | 7.08950e-06 | |||
| Coefficient E | 2.00000e+00 | |||
| Comment | ChemSep eq 101, VaporPressure | |||
| Temperature range, min. | 183.22 | |||
| Temperature range, max. | 628.90 | |||
| Pvap | 8.40e-06 | kPa | 183.22 | Calculated Property |
| Pvap | 7.98e-03 | kPa | 232.74 | Calculated Property |
| Pvap | 0.49 | kPa | 282.26 | Calculated Property |
| Pvap | 7.28 | kPa | 331.78 | Calculated Property |
| Pvap | 47.25 | kPa | 381.30 | Calculated Property |
| Pvap | 185.67 | kPa | 430.82 | Calculated Property |
| Pvap | 530.39 | kPa | 480.34 | Calculated Property |
| Pvap | 1231.18 | kPa | 529.86 | Calculated Property |
| Pvap | 2493.66 | kPa | 579.38 | Calculated Property |
| Pvap | 4620.71 | kPa | 628.90 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [1117.35; 574.57] | kg/m3 | [183.22; 605.44] |
ChemSep v8.3 pure component data
|
| Equation | Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K | |||
| Coefficient A | 9.55178e+01 | |||
| Coefficient B | 2.75230e-01 | |||
| Coefficient C | 6.28900e+02 | |||
| Coefficient D | 2.85710e-01 | |||
| Comment | ChemSep eq 105, LiquidDensity | |||
| Temperature range, min. | 183.22 | |||
| Temperature range, max. | 605.44 | |||
| ρl | 1117.35 | kg/m3 | 183.22 | Calculated Property |
| ρl | 1077.22 | kg/m3 | 230.13 | Calculated Property |
| ρl | 1035.20 | kg/m3 | 277.05 | Calculated Property |
| ρl | 990.86 | kg/m3 | 323.96 | Calculated Property |
| ρl | 943.57 | kg/m3 | 370.87 | Calculated Property |
| ρl | 892.43 | kg/m3 | 417.79 | Calculated Property |
| ρl | 835.90 | kg/m3 | 464.70 | Calculated Property |
| ρl | 771.19 | kg/m3 | 511.61 | Calculated Property |
| ρl | 691.95 | kg/m3 | 558.53 | Calculated Property |
| ρl | 574.57 | kg/m3 | 605.44 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.05; 0.00] | N/m | [183.22; 605.44] |
ChemSep v8.3 pure component data
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K | |||
| Coefficient A | -1.96230e-02 | |||
| Coefficient B | 2.40490e+01 | |||
| Coefficient C | -2.68060e+00 | |||
| Coefficient D | -4.20900e-04 | |||
| Coefficient E | -2.67780e-06 | |||
| Comment | ChemSep eq 16, SurfaceTension | |||
| Temperature range, min. | 183.22 | |||
| Temperature range, max. | 605.44 | |||
| γ | 0.05 | N/m | 183.22 | Calculated Property |
| γ | 0.04 | N/m | 230.13 | Calculated Property |
| γ | 0.03 | N/m | 277.05 | Calculated Property |
| γ | 0.03 | N/m | 323.96 | Calculated Property |
| γ | 0.02 | N/m | 370.87 | Calculated Property |
| γ | 0.02 | N/m | 417.79 | Calculated Property |
| γ | 0.01 | N/m | 464.70 | Calculated Property |
| γ | 0.01 | N/m | 511.61 | Calculated Property |
| γ | 0.00 | N/m | 558.53 | Calculated Property |
| γ | 0.00 | N/m | 605.44 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λ | [0.00; 0.06] | W/m×K | [183.22; 1000.00] |
ChemSep v8.3 pure component data
|
| Equation | Y = A·T^B / (1 + C/T + D/T²) Y is λ in W/m×K, T in K | |||
| Coefficient A | 2.79580e-04 | |||
| Coefficient B | 8.64110e-01 | |||
| Coefficient C | 8.43300e+02 | |||
| Coefficient D | 7.47110e+03 | |||
| Comment | ChemSep eq 102, VaporThermalConductivity | |||
| Temperature range, min. | 183.22 | |||
| Temperature range, max. | 1000.00 | |||
| λ | 0.00 | W/m×K | 183.22 | Calculated Property |
| λ | 0.01 | W/m×K | 273.97 | Calculated Property |
| λ | 0.01 | W/m×K | 364.73 | Calculated Property |
| λ | 0.02 | W/m×K | 455.48 | Calculated Property |
| λ | 0.03 | W/m×K | 546.23 | Calculated Property |
| λ | 0.03 | W/m×K | 636.99 | Calculated Property |
| λ | 0.04 | W/m×K | 727.74 | Calculated Property |
| λ | 0.05 | W/m×K | 818.49 | Calculated Property |
| λ | 0.05 | W/m×K | 909.25 | Calculated Property |
| λ | 0.06 | W/m×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λ | [0.16; 0.09] | W/m×K | [188.67; 503.12] |
ChemSep v8.3 pure component data
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is λ in W/m×K, T in K | |||
| Coefficient A | -2.10830e-01 | |||
| Coefficient B | 1.14260e+01 | |||
| Coefficient C | -1.03070e+00 | |||
| Coefficient D | 1.22490e-04 | |||
| Coefficient E | -1.06710e-06 | |||
| Comment | ChemSep eq 16, LiquidThermalConductivity | |||
| Temperature range, min. | 188.67 | |||
| Temperature range, max. | 503.12 | |||
| λ | 0.16 | W/m×K | 188.67 | Calculated Property |
| λ | 0.16 | W/m×K | 223.61 | Calculated Property |
| λ | 0.15 | W/m×K | 258.55 | Calculated Property |
| λ | 0.14 | W/m×K | 293.49 | Calculated Property |
| λ | 0.13 | W/m×K | 328.43 | Calculated Property |
| λ | 0.12 | W/m×K | 363.36 | Calculated Property |
| λ | 0.11 | W/m×K | 398.30 | Calculated Property |
| λ | 0.11 | W/m×K | 433.24 | Calculated Property |
| λ | 0.10 | W/m×K | 468.18 | Calculated Property |
| λ | 0.09 | W/m×K | 503.12 | Calculated Property |
Similar Compounds
Find more compounds similar to Methyl ethyl disulfide.
Sources
- Cheméo Relay (1.0)
- ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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