- InChI
- InChI=1S/C6H14S/c1-5-6(2,3)7-4/h5H2,1-4H3
- InChI Key
- SJOHDSPLOVBXOF-UHFFFAOYSA-N
- Formula
- C6H14S
- SMILES
- CCC(C)(C)SC
- Molecular Weight1
- 118.24
- CAS
- 13286-92-5
- Other Names
-
- 2-Methyl-2-(methylsulfanyl)butane
- 3,3-Dimethyl-2-thiapentane
- Methyl t-pentyl sulfide
- Methyl tert-pentyl sulfide
- Sulfide, methyl tert-pentyl
- 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.
- 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.
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 |
|---|---|---|---|
| ω | 0.2836 | ChemSep v8.3 pure component data | |
| μ | 1.56 | debye | ChemSep v8.3 pure component data |
| ΔfG° | 28.84 | kJ/mol | ChemSep v8.3 pure component data |
| ΔfH°gas | -137.40 | kJ/mol | ChemSep v8.3 pure component data |
| ΔfusH° | 8.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.538 | Crippen Calculated Property | |
| McVol | 111.750 | ml/mol | McGowan Calculated Property |
| Pc | 3130.00 | kPa | ChemSep v8.3 pure component data |
| Ptriple | 5.47e-05 | kPa | ChemSep v8.3 pure component data |
| Inp | [847.00; 847.00] |
|
|
| Inp | 847.00 | NIST | |
| Inp | 847.00 | NIST | |
| Inp | 847.00 | NIST | |
| Inp | 847.00 | NIST | |
| Tboil | 401.15 | K | ChemSep v8.3 pure component data |
| Tc | 632.00 | K | ChemSep v8.3 pure component data |
| Tfus | 195.00 | K | ChemSep v8.3 pure component data |
| Ttriple | 195.00 | K | ChemSep v8.3 pure component data |
| UQi | 4.45 | ChemSep v8.3 pure component data | |
| URi | 5.21 | ChemSep v8.3 pure component data | |
| Vc | 0.412 | m3/kmol | ChemSep v8.3 pure component data |
| Zc | 0.2590000 | ChemSep v8.3 pure component data | |
| Zra | 0.26 | ChemSep v8.3 pure component data |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [155.67; 402.30] | 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 | 1.09660e+02 | |||
| Coefficient B | -6.56230e+02 | |||
| Coefficient C | 6.25624e+00 | |||
| Coefficient D | -8.46180e-05 | |||
| Coefficient E | -5.73360e-09 | |||
| Comment | ChemSep eq 16, IdealGasHeatCapacityCp | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 155.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 210.90 | J/mol×K | 409.33 | Calculated Property |
| Cp,gas | 258.93 | J/mol×K | 545.67 | Calculated Property |
| Cp,gas | 297.14 | J/mol×K | 682.00 | Calculated Property |
| Cp,gas | 326.95 | J/mol×K | 818.33 | Calculated Property |
| Cp,gas | 350.19 | J/mol×K | 954.67 | Calculated Property |
| Cp,gas | 368.34 | J/mol×K | 1091.00 | Calculated Property |
| Cp,gas | 382.55 | J/mol×K | 1227.33 | Calculated Property |
| Cp,gas | 393.66 | J/mol×K | 1363.67 | Calculated Property |
| Cp,gas | 402.30 | J/mol×K | 1500.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [205.67; 307.29] | J/mol×K | [195.00; 474.00] |
ChemSep v8.3 pure component data
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K | |||
| Coefficient A | 1.81970e+02 | |||
| Coefficient B | 2.83580e+02 | |||
| Coefficient C | -1.60616e+00 | |||
| Coefficient D | 2.02940e-02 | |||
| Coefficient E | -1.68270e-05 | |||
| Comment | ChemSep eq 16, LiquidHeatCapacityCp | |||
| Temperature range, min. | 195.00 | |||
| Temperature range, max. | 474.00 | |||
| Cp,liquid | 205.67 | J/mol×K | 195.00 | Calculated Property |
| Cp,liquid | 211.21 | J/mol×K | 226.00 | Calculated Property |
| Cp,liquid | 218.62 | J/mol×K | 257.00 | Calculated Property |
| Cp,liquid | 227.92 | J/mol×K | 288.00 | Calculated Property |
| Cp,liquid | 239.04 | J/mol×K | 319.00 | Calculated Property |
| Cp,liquid | 251.77 | J/mol×K | 350.00 | Calculated Property |
| Cp,liquid | 265.70 | J/mol×K | 381.00 | Calculated Property |
| Cp,liquid | 280.17 | J/mol×K | 412.00 | Calculated Property |
| Cp,liquid | 294.36 | J/mol×K | 443.00 | Calculated Property |
| Cp,liquid | 307.29 | J/mol×K | 474.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0052098; 0.0001167] | Pa×s | [195.00; 532.00] |
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 | -1.12480e+01 | |||
| Coefficient B | 1.16910e+03 | |||
| Coefficient C | -8.81040e-04 | |||
| Coefficient D | 1.19800e-09 | |||
| Coefficient E | 2.00000e+00 | |||
| Comment | ChemSep eq 101, LiquidViscosity | |||
| Temperature range, min. | 195.00 | |||
| Temperature range, max. | 532.00 | |||
| η | 0.0052098 | Pa×s | 195.00 | Calculated Property |
| η | 0.0019830 | Pa×s | 232.44 | Calculated Property |
| η | 0.0009868 | Pa×s | 269.89 | Calculated Property |
| η | 0.0005821 | Pa×s | 307.33 | Calculated Property |
| η | 0.0003851 | Pa×s | 344.78 | Calculated Property |
| η | 0.0002762 | Pa×s | 382.22 | Calculated Property |
| η | 0.0002102 | Pa×s | 419.67 | Calculated Property |
| η | 0.0001673 | Pa×s | 457.11 | Calculated Property |
| η | 0.0001379 | Pa×s | 494.56 | Calculated Property |
| η | 0.0001167 | Pa×s | 532.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [47.09; 0.00] | kJ/mol | [195.00; 632.00] |
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 | 5.40450e+01 | |||
| Coefficient B | 3.73250e-01 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Critical temperature, Tc (K) | 6.32000e+02 | |||
| Comment | ChemSep eq 106, HeatOfVaporization | |||
| Temperature range, min. | 195.00 | |||
| Temperature range, max. | 632.00 | |||
| ΔvapH | 47.09 | kJ/mol | 195.00 | Calculated Property |
| ΔvapH | 45.07 | kJ/mol | 243.56 | Calculated Property |
| ΔvapH | 42.88 | kJ/mol | 292.11 | Calculated Property |
| ΔvapH | 40.48 | kJ/mol | 340.67 | Calculated Property |
| ΔvapH | 37.82 | kJ/mol | 389.22 | Calculated Property |
| ΔvapH | 34.79 | kJ/mol | 437.78 | Calculated Property |
| ΔvapH | 31.25 | kJ/mol | 486.33 | Calculated Property |
| ΔvapH | 26.86 | kJ/mol | 534.89 | Calculated Property |
| ΔvapH | 20.74 | kJ/mol | 583.44 | Calculated Property |
| ΔvapH | 0.00 | kJ/mol | 632.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [314.40; 424.53] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.69742e+01 | |||
| Coefficient B | -4.26602e+03 | |||
| Coefficient C | -5.87440e+01 | |||
| Temperature range, min. | 314.40 | |||
| Temperature range, max. | 424.53 | |||
| Pvap | 1.33 | kPa | 314.40 | Calculated Property |
| Pvap | 2.86 | kPa | 326.64 | Calculated Property |
| Pvap | 5.73 | kPa | 338.87 | Calculated Property |
| Pvap | 10.84 | kPa | 351.11 | Calculated Property |
| Pvap | 19.47 | kPa | 363.35 | Calculated Property |
| Pvap | 33.44 | kPa | 375.58 | Calculated Property |
| Pvap | 55.18 | kPa | 387.82 | Calculated Property |
| Pvap | 87.82 | kPa | 400.06 | Calculated Property |
| Pvap | 135.36 | kPa | 412.29 | Calculated Property |
| Pvap | 202.67 | kPa | 424.53 | Calculated Property |
| Pvap | [5.36e-05; 3103.90] | kPa | [195.00; 632.00] |
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 | 6.45038e+01 | |||
| Coefficient B | -7.07352e+03 | |||
| Coefficient C | -7.24473e+00 | |||
| Coefficient D | 3.62869e-06 | |||
| Coefficient E | 2.00000e+00 | |||
| Comment | ChemSep eq 101, VaporPressure | |||
| Temperature range, min. | 195.00 | |||
| Temperature range, max. | 632.00 | |||
| Pvap | 5.36e-05 | kPa | 195.00 | Calculated Property |
| Pvap | 0.02 | kPa | 243.56 | Calculated Property |
| Pvap | 0.59 | kPa | 292.11 | Calculated Property |
| Pvap | 6.81 | kPa | 340.67 | Calculated Property |
| Pvap | 39.31 | kPa | 389.22 | Calculated Property |
| Pvap | 145.63 | kPa | 437.78 | Calculated Property |
| Pvap | 401.44 | kPa | 486.33 | Calculated Property |
| Pvap | 903.12 | kPa | 534.89 | Calculated Property |
| Pvap | 1761.57 | kPa | 583.44 | Calculated Property |
| Pvap | 3103.90 | kPa | 632.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [915.99; 271.75] | kg/m3 | [195.00; 632.00] |
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 | 7.04311e+01 | |||
| Coefficient B | 2.59180e-01 | |||
| Coefficient C | 6.32000e+02 | |||
| Coefficient D | 2.85710e-01 | |||
| Comment | ChemSep eq 105, LiquidDensity | |||
| Temperature range, min. | 195.00 | |||
| Temperature range, max. | 632.00 | |||
| ρl | 915.99 | kg/m3 | 195.00 | Calculated Property |
| ρl | 879.89 | kg/m3 | 243.56 | Calculated Property |
| ρl | 842.03 | kg/m3 | 292.11 | Calculated Property |
| ρl | 801.98 | kg/m3 | 340.67 | Calculated Property |
| ρl | 759.12 | kg/m3 | 389.22 | Calculated Property |
| ρl | 712.45 | kg/m3 | 437.78 | Calculated Property |
| ρl | 660.27 | kg/m3 | 486.33 | Calculated Property |
| ρl | 599.17 | kg/m3 | 534.89 | Calculated Property |
| ρl | 519.82 | kg/m3 | 583.44 | Calculated Property |
| ρl | 271.75 | kg/m3 | 632.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.04; 1.37e-05] | N/m | [195.00; 626.76] |
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 | -8.44760e-03 | |||
| Coefficient B | 6.30000e+01 | |||
| Coefficient C | -3.43050e+00 | |||
| Coefficient D | 1.10720e-03 | |||
| Coefficient E | -5.43810e-06 | |||
| Comment | ChemSep eq 16, SurfaceTension, ChemSep Tmax 632 K | |||
| Temperature range, min. | 195.00 | |||
| Temperature range, max. | 626.76 | |||
| γ | 0.04 | N/m | 195.00 | Calculated Property |
| γ | 0.03 | N/m | 242.97 | Calculated Property |
| γ | 0.03 | N/m | 290.95 | Calculated Property |
| γ | 0.02 | N/m | 338.92 | Calculated Property |
| γ | 0.02 | N/m | 386.89 | Calculated Property |
| γ | 0.01 | N/m | 434.86 | Calculated Property |
| γ | 0.01 | N/m | 482.84 | Calculated Property |
| γ | 0.01 | N/m | 530.81 | Calculated Property |
| γ | 0.00 | N/m | 578.78 | Calculated Property |
| γ | 1.37e-05 | N/m | 626.76 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λ | [0.01; 0.07] | W/m×K | [195.00; 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 | 1.45280e-04 | |||
| Coefficient B | 9.66270e-01 | |||
| Coefficient C | 6.37800e+02 | |||
| Coefficient D | 1.33510e+04 | |||
| Comment | ChemSep eq 102, VaporThermalConductivity | |||
| Temperature range, min. | 195.00 | |||
| Temperature range, max. | 1000.00 | |||
| λ | 0.01 | W/m×K | 195.00 | Calculated Property |
| λ | 0.01 | W/m×K | 284.44 | Calculated Property |
| λ | 0.02 | W/m×K | 373.89 | Calculated Property |
| λ | 0.02 | W/m×K | 463.33 | Calculated Property |
| λ | 0.03 | W/m×K | 552.78 | Calculated Property |
| λ | 0.04 | W/m×K | 642.22 | Calculated Property |
| λ | 0.04 | W/m×K | 731.67 | Calculated Property |
| λ | 0.05 | W/m×K | 821.11 | Calculated Property |
| λ | 0.06 | W/m×K | 910.56 | Calculated Property |
| λ | 0.07 | W/m×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λ | [0.17; 0.11] | W/m×K | [155.00; 423.00] |
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 | -5.98450e-02 | |||
| Coefficient B | -6.97300e-01 | |||
| Coefficient C | -1.36810e+00 | |||
| Coefficient D | -6.26960e-04 | |||
| Coefficient E | -8.70800e-07 | |||
| Comment | ChemSep eq 16, LiquidThermalConductivity | |||
| Temperature range, min. | 155.00 | |||
| Temperature range, max. | 423.00 | |||
| λ | 0.17 | W/m×K | 155.00 | Calculated Property |
| λ | 0.16 | W/m×K | 184.78 | Calculated Property |
| λ | 0.15 | W/m×K | 214.56 | Calculated Property |
| λ | 0.15 | W/m×K | 244.33 | Calculated Property |
| λ | 0.14 | W/m×K | 274.11 | Calculated Property |
| λ | 0.13 | W/m×K | 303.89 | Calculated Property |
| λ | 0.13 | W/m×K | 333.67 | Calculated Property |
| λ | 0.12 | W/m×K | 363.44 | Calculated Property |
| λ | 0.11 | W/m×K | 393.22 | Calculated Property |
| λ | 0.11 | W/m×K | 423.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 2-methyl-2-(methylthio)-.
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
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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.
These property values are available through the Cheméo API. A free account gives you an access key.