- InChI
- InChI=1S/C5H12S2/c1-7-5-3-2-4-6/h6H,2-5H2,1H3
- InChI Key
- VLSYQLPMYBNHCJ-UHFFFAOYSA-N
- Formula
- C5H12S2
- SMILES
- CSCCCCS
- Molecular Weight1
- 136.28
- CAS
- 66890-94-6
- Other Names
-
- 5-Thia-1-hexanethiol
- 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).
- 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).
- 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 | 0.4131 | Relay (... Calculated Property | |
| ΔfG° | 53.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -93.02 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 16.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.06 | kJ/mol | Relay (... Calculated Property |
| IE | 8.60 | eV | Relay (... Calculated Property |
| log10WS | -1.82 | Relay (... Calculated Property | |
| logPoct/wat | 2.059 | Crippen Calculated Property | |
| McVol | 114.010 | ml/mol | McGowan Calculated Property |
| Pc | 3824.55 | kPa | Joback Calculated Property |
| Inp | 1151.00 | NIST | |
| Tboil | 475.13 | K | Relay (... Calculated Property |
| Tc | 699.61 | K | Relay (... Calculated Property |
| Tfus | 221.22 | K | Relay (... Calculated Property |
| Vc | 0.400 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.39; 270.56] | J/mol×K | [445.44; 660.82] | 
|
| Cp,gas | 212.39 | J/mol×K | 445.44 | Joback Calculated Property |
| Cp,gas | 223.30 | J/mol×K | 481.34 | Joback Calculated Property |
| Cp,gas | 233.71 | J/mol×K | 517.23 | Joback Calculated Property |
| Cp,gas | 243.64 | J/mol×K | 553.13 | Joback Calculated Property |
| Cp,gas | 253.08 | J/mol×K | 589.03 | Joback Calculated Property |
| Cp,gas | 262.05 | J/mol×K | 624.92 | Joback Calculated Property |
| Cp,gas | 270.56 | J/mol×K | 660.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butanethiol, 4-(methylthio)-.
Sources
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