- InChI
- InChI=1S/C8H15ClS/c1-3-4-5-10-7-8(2)6-9/h6H,3-5,7H2,1-2H3/b8-6+
- InChI Key
- LOSAPLMUPWETBL-SOFGYWHQSA-N
- Formula
- C8H15ClS
- SMILES
- CCCCSCC(C)=CCl
- Molecular Weight1
- 178.72
- Other Names
-
- E-1-(3-Chloro-2-methyl-allylthio) -butane
- 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ΔfG° | 109.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -74.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.64 | kJ/mol | Joback Calculated Property |
| log10WS | -3.56 | Crippen Calculated Property | |
| logPoct/wat | 3.662 | Crippen Calculated Property | |
| McVol | 147.870 | ml/mol | McGowan Calculated Property |
| Pc | 2632.55 | kPa | Joback Calculated Property |
| Inp | 1227.60 | NIST | |
| I | 1587.80 | NIST | |
| Tboil | 492.69 | K | Joback Calculated Property |
| Tc | 697.09 | K | Joback Calculated Property |
| Tfus | 225.20 | K | Joback Calculated Property |
| Vc | 0.568 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.71; 368.09] | J/mol×K | [492.69; 697.09] | 
|
| Cp,gas | 298.71 | J/mol×K | 492.69 | Joback Calculated Property |
| Cp,gas | 311.90 | J/mol×K | 526.76 | Joback Calculated Property |
| Cp,gas | 324.41 | J/mol×K | 560.82 | Joback Calculated Property |
| Cp,gas | 336.25 | J/mol×K | 594.89 | Joback Calculated Property |
| Cp,gas | 347.46 | J/mol×K | 628.96 | Joback Calculated Property |
| Cp,gas | 358.07 | J/mol×K | 663.02 | Joback Calculated Property |
| Cp,gas | 368.09 | J/mol×K | 697.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to E-1-(3-Chloro-2-methyl-allylsulfanyl) -butane.
Sources
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