- InChI
- InChI=1S/C6H15NS/c1-2-3-4-7-5-6-8/h7-8H,2-6H2,1H3
- InChI Key
- OUMFAUYLXGTBCX-UHFFFAOYSA-N
- Formula
- C6H15NS
- SMILES
- CCCCNCCS
- Molecular Weight1
- 133.25
- CAS
- 5842-00-2
- Other Names
-
- Ethanethiol, 2-(butylamino)-
- 2-N-Butylaminoethanethiol
- (butylamino)ethanethiol
- 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).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔfG° | 118.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -75.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.12 | kJ/mol | Joback Calculated Property |
| log10WS | -1.60 | Crippen Calculated Property | |
| logPoct/wat | 1.306 | Crippen Calculated Property | |
| McVol | 121.730 | ml/mol | McGowan Calculated Property |
| Pc | 3392.03 | kPa | Joback Calculated Property |
| Tboil | 449.71 | K | Joback Calculated Property |
| Tc | 642.15 | K | Joback Calculated Property |
| Tfus | 246.50 | K | Joback Calculated Property |
| Vc | 0.461 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [247.10; 312.20] | J/mol×K | [449.71; 642.15] | 
|
| Cp,gas | 247.10 | J/mol×K | 449.71 | Joback Calculated Property |
| Cp,gas | 259.25 | J/mol×K | 481.78 | Joback Calculated Property |
| Cp,gas | 270.86 | J/mol×K | 513.86 | Joback Calculated Property |
| Cp,gas | 281.95 | J/mol×K | 545.93 | Joback Calculated Property |
| Cp,gas | 292.53 | J/mol×K | 578.00 | Joback Calculated Property |
| Cp,gas | 302.61 | J/mol×K | 610.08 | Joback Calculated Property |
| Cp,gas | 312.20 | J/mol×K | 642.15 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 386.70 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to 2-(Butylamino)ethanethiol.
Sources
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