- InChI
- InChI=1S/C6H11Cl/c1-3-5-6(7)4-2/h5H,3-4H2,1-2H3/b6-5-
- InChI Key
- CRAFRIAAAZWLNA-WAYWQWQTSA-N
- Formula
- C6H11Cl
- SMILES
- CCC=C(Cl)CC
- Molecular Weight1
- 118.61
- 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).
- 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 | 0.2443 | Relay (1.0) Calculated Property | |
| ΔfG° | 59.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -92.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.929 | Crippen Calculated Property | |
| McVol | 103.340 | ml/mol | McGowan Calculated Property |
| Pc | 3177.55 | kPa | Joback Calculated Property |
| Inp | [763.00; 763.00] |
|
|
| Inp | 763.00 | NIST | |
| Inp | 763.00 | NIST | |
| Tboil | 375.35 | K | Relay (1.0) Calculated Property |
| Tc | 554.04 | K | Relay (1.0) Calculated Property |
| Tfus | 166.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.382 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [171.45; 226.08] | J/mol×K | [378.15; 563.28] |
|
| Cp,gas | 171.45 | J/mol×K | 378.15 | Joback Calculated Property |
| Cp,gas | 181.74 | J/mol×K | 409.00 | Joback Calculated Property |
| Cp,gas | 191.53 | J/mol×K | 439.86 | Joback Calculated Property |
| Cp,gas | 200.84 | J/mol×K | 470.71 | Joback Calculated Property |
| Cp,gas | 209.69 | J/mol×K | 501.57 | Joback Calculated Property |
| Cp,gas | 218.09 | J/mol×K | 532.42 | Joback Calculated Property |
| Cp,gas | 226.08 | J/mol×K | 563.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexene, 3-chloro.
Sources
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