- InChI
- InChI=1S/C6H14S/c1-4-6(3)7-5-2/h6H,4-5H2,1-3H3
- InChI Key
- JFNGZXUPUVUYST-UHFFFAOYSA-N
- Formula
- C6H14S
- SMILES
- CCSC(C)CC
- Molecular Weight1
- 118.24
- CAS
- 5008-72-0
- Other Names
-
- (1-Methylpropyl) ethyl sulfide
- 2-(Ethylthio)butane
- 4-Methyl-3-thiahexane
- Ethyl (1-methylpropyl) sulfide
- Ethyl 2-butyl sulfide
- Sulfide, sec-butyl ethyl
- sec-Butyl ethyl sulfide
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -133.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.538 | Crippen Calculated Property | |
| McVol | 111.750 | ml/mol | McGowan Calculated Property |
| Inp | [841.00; 850.00] |
|
|
| Inp | 850.00 | NIST | |
| Inp | 841.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 850.00 | NIST | |
| Tboil | 406.80 ± 0.40 | K | NIST |
| Tfus | 168.12 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [39.00; 41.20] | kJ/mol | [369.00; 377.00] |
|
| ΔvapH | 41.20 | kJ/mol | 369.00 | NIST |
| ΔvapH | 39.00 | kJ/mol | 377.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [152.95; 356.00] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.53520e+01 | |||
| Coefficient B | 5.74150e-01 | |||
| Coefficient C | -2.65600e-04 | |||
| Coefficient D | 3.21000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 152.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 186.65 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 217.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 245.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 270.03 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 292.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 311.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 328.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 343.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 356.00 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [301.44; 432.61] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.47793e+01 | |||
| Coefficient B | -3.58233e+03 | |||
| Coefficient C | -5.42400e+01 | |||
| Temperature range, min. | 301.44 | |||
| Temperature range, max. | 432.61 | |||
| Pvap | 1.33 | kPa | 301.44 | Calculated Property |
| Pvap | 2.99 | kPa | 316.01 | Calculated Property |
| Pvap | 6.15 | kPa | 330.59 | Calculated Property |
| Pvap | 11.77 | kPa | 345.16 | Calculated Property |
| Pvap | 21.18 | kPa | 359.74 | Calculated Property |
| Pvap | 36.13 | kPa | 374.31 | Calculated Property |
| Pvap | 58.82 | kPa | 388.89 | Calculated Property |
| Pvap | 91.95 | kPa | 403.46 | Calculated Property |
| Pvap | 138.68 | kPa | 418.04 | Calculated Property |
| Pvap | 202.65 | kPa | 432.61 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 2-(ethylthio)-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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