- InChI
- InChI=1S/C7H13ClS/c1-3-4-9-6-7(2)5-8/h5H,3-4,6H2,1-2H3/b7-5+
- InChI Key
- CGAZHYSZJPSFJW-FNORWQNLSA-N
- Formula
- C7H13ClS
- SMILES
- CCCSCC(C)=CCl
- Molecular Weight1
- 164.70
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3161 | Relay (1.0) Calculated Property | |
| ΔfG° | 100.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -89.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.272 | Crippen Calculated Property | |
| McVol | 133.780 | ml/mol | McGowan Calculated Property |
| Pc | 2912.39 | kPa | Joback Calculated Property |
| I | 1245.00 | NIST | |
| Tboil | 474.97 | K | Relay (1.0) Calculated Property |
| Tc | 656.86 | K | Relay (1.0) Calculated Property |
| Tfus | 207.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.467 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.50; 320.10] | J/mol×K | [469.81; 677.07] | 
|
| Cp,gas | 256.50 | J/mol×K | 469.81 | Joback Calculated Property |
| Cp,gas | 268.61 | J/mol×K | 504.35 | Joback Calculated Property |
| Cp,gas | 280.09 | J/mol×K | 538.90 | Joback Calculated Property |
| Cp,gas | 290.95 | J/mol×K | 573.44 | Joback Calculated Property |
| Cp,gas | 301.22 | J/mol×K | 607.98 | Joback Calculated Property |
| Cp,gas | 310.93 | J/mol×K | 642.53 | Joback Calculated Property |
| Cp,gas | 320.10 | J/mol×K | 677.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to E-1-Chloro-2-methyl-3-propylsulfanyl- propene.
Sources
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