- InChI
- InChI=1S/C6H15NS/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3
- InChI Key
- YBDSNEVSFQMCTL-UHFFFAOYSA-N
- Formula
- C6H15NS
- SMILES
- CCN(CC)CCS
- Molecular Weight1
- 133.26
- Other Names
-
- (dl) 2,5-dimethyltetrahydrofuran
- 2-(Diethylamino)ethyl mercaptan
- 2-(diethylamino)ethane-1-thiol
- 2-(diethylamino)ethanethiol
- Diethyl(2-mercaptoethyl)amine
- Diethylaminoethanethiol
- Diethylcysteamin
- Diethylcysteamine
- N,N-Diethylcysteamine
- N-Diaethyl cysteamin
- NSC 49193
- Triethylamine, 2-mercapto-
- «beta»-Diethylaminoethyl mercaptan
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4088 | Relay (1.0) Calculated Property | |
| ΔfG° | 139.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -82.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.258 | Crippen Calculated Property | |
| McVol | 121.730 | ml/mol | McGowan Calculated Property |
| Pc | 3333.53 | kPa | Joback Calculated Property |
| Inp | [976.00; 979.00] |
|
|
| Inp | 976.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 979.00 | NIST | |
| Tboil | 429.94 | K | Relay (1.0) Calculated Property |
| Tc | 623.38 | K | Relay (1.0) Calculated Property |
| Tfus | 177.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.421 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 35.40 | kJ/mol | 324.00 | NIST |
| Pvap | [0.38; 1.35] | kPa | [275.15; 295.15] |
|
| Pvap | 0.38 | kPa | 275.15 | Vapor Pressure of 2-Dialkyl Aminoethanethiols |
| Pvap | 0.75 | kPa | 285.15 | Vapor Pressure of 2-Dialkyl Aminoethanethiols |
| Pvap | 1.35 | kPa | 295.15 | Vapor Pressure of 2-Dialkyl Aminoethanethiols |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [169.06; 392.27] | 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 | 1.63400e+00 | |||
| Coefficient B | 7.25040e-01 | |||
| Coefficient C | -4.37600e-04 | |||
| Coefficient D | 1.03200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 169.06 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 207.94 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 242.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 273.18 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 300.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 323.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 344.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 362.74 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 378.51 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 392.27 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethanethiol, 2-(diethylamino)-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vapor Pressure of 2-Dialkyl Aminoethanethiols
- Joback Method
- McGowan Method
- NIST Webbook
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