- InChI
- InChI=1S/C5H9Cl/c1-3-5(2)4-6/h3H,4H2,1-2H3/b5-3-
- InChI Key
- ZAJKEDQTROWDDD-HYXAFXHYSA-N
- Formula
- C5H9Cl
- SMILES
- CC=C(C)CCl
- Molecular Weight1
- 104.58
- 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.
- 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° | 50.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -54.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.15 | kJ/mol | Joback Calculated Property |
| log10WS | -1.92 | Crippen Calculated Property | |
| logPoct/wat | 2.191 | Crippen Calculated Property | |
| McVol | 89.250 | ml/mol | McGowan Calculated Property |
| Pc | 3551.53 | kPa | Joback Calculated Property |
| Inp | [725.00; 727.00] |
|
|
| Inp | 725.00 | NIST | |
| Inp | 727.00 | NIST | |
| Tboil | 355.27 | K | Joback Calculated Property |
| Tc | 541.10 | K | Joback Calculated Property |
| Tfus | 156.99 | K | Joback Calculated Property |
| Vc | 0.345 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [136.97; 183.93] | J/mol×K | [355.27; 541.10] |
|
| Cp,gas | 136.97 | J/mol×K | 355.27 | Joback Calculated Property |
| Cp,gas | 145.84 | J/mol×K | 386.24 | Joback Calculated Property |
| Cp,gas | 154.27 | J/mol×K | 417.21 | Joback Calculated Property |
| Cp,gas | 162.28 | J/mol×K | 448.19 | Joback Calculated Property |
| Cp,gas | 169.87 | J/mol×K | 479.16 | Joback Calculated Property |
| Cp,gas | 177.09 | J/mol×K | 510.13 | Joback Calculated Property |
| Cp,gas | 183.93 | J/mol×K | 541.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Chloro-2-methyl-2-butene, cis.
Sources
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