- InChI
- InChI=1S/C9H17ClS/c1-3-4-5-6-11-8-9(2)7-10/h7H,3-6,8H2,1-2H3/b9-7+
- InChI Key
- IKTZYZGLMACANG-VQHVLOKHSA-N
- Formula
- C9H17ClS
- SMILES
- CCCCCSCC(C)=CCl
- Molecular Weight1
- 192.75
- Other Names
-
- E-1-(3-Chloro-2-methyl-allylthio) -pentane
- 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° | 117.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -95.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.87 | kJ/mol | Joback Calculated Property |
| log10WS | -3.98 | Crippen Calculated Property | |
| logPoct/wat | 4.052 | Crippen Calculated Property | |
| McVol | 161.960 | ml/mol | McGowan Calculated Property |
| Pc | 2391.19 | kPa | Joback Calculated Property |
| Inp | [1331.20; 1331.20] |
|
|
| Inp | 1331.20 | NIST | |
| Inp | 1331.20 | NIST | |
| I | 1679.40 | NIST | |
| Tboil | 515.57 | K | Joback Calculated Property |
| Tc | 717.10 | K | Joback Calculated Property |
| Tfus | 236.47 | K | Joback Calculated Property |
| Vc | 0.624 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [342.89; 417.35] | J/mol×K | [515.57; 717.10] |
|
| Cp,gas | 342.89 | J/mol×K | 515.57 | Joback Calculated Property |
| Cp,gas | 357.03 | J/mol×K | 549.16 | Joback Calculated Property |
| Cp,gas | 370.44 | J/mol×K | 582.75 | Joback Calculated Property |
| Cp,gas | 383.15 | J/mol×K | 616.34 | Joback Calculated Property |
| Cp,gas | 395.18 | J/mol×K | 649.93 | Joback Calculated Property |
| Cp,gas | 406.57 | J/mol×K | 683.51 | Joback Calculated Property |
| Cp,gas | 417.35 | J/mol×K | 717.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to E-1-(3-Chloro-2-methyl-allylsulfanyl) -pentane.
Sources
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