- InChI
- InChI=1S/C5H9Cl/c1-3-5(2)4-6/h4H,3H2,1-2H3/b5-4+
- InChI Key
- KRGLOJFYIVYYDI-SNAWJCMRSA-N
- Formula
- C5H9Cl
- SMILES
- CCC(C)=CCl
- Molecular Weight1
- 104.58
- CAS
- 23378-11-2
- Other Names
-
- 1-Chloro-2-methyl-1-butene, trans
- 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 | 0.2350 | Relay (1.0) Calculated Property | |
| ΔfG° | 50.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -80.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.539 | Crippen Calculated Property | |
| McVol | 89.250 | ml/mol | McGowan Calculated Property |
| Pc | 3551.53 | kPa | Joback Calculated Property |
| Inp | [712.00; 715.00] |
|
|
| Inp | 712.00 | NIST | |
| Inp | 712.00 | NIST | |
| Inp | 715.00 | NIST | |
| Tboil | 366.17 | K | Relay (1.0) Calculated Property |
| Tc | 545.75 | K | Relay (1.0) Calculated Property |
| Tfus | 171.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.332 | 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 | [137.03; 184.00] | J/mol×K | [355.47; 541.41] |
|
| Cp,gas | 137.03 | J/mol×K | 355.47 | Joback Calculated Property |
| Cp,gas | 145.90 | J/mol×K | 386.46 | Joback Calculated Property |
| Cp,gas | 154.33 | J/mol×K | 417.45 | Joback Calculated Property |
| Cp,gas | 162.34 | J/mol×K | 448.44 | Joback Calculated Property |
| Cp,gas | 169.94 | J/mol×K | 479.43 | Joback Calculated Property |
| Cp,gas | 177.15 | J/mol×K | 510.42 | Joback Calculated Property |
| Cp,gas | 184.00 | J/mol×K | 541.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butene, 1-chloro-2-methyl-.
Sources
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