- 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [111.10; 254.70] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.63900e+00 | |||
| Coefficient B | 5.05540e-01 | |||
| Coefficient C | -3.54700e-04 | |||
| Coefficient D | 1.06500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 111.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 136.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 158.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 178.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 195.24 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 210.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 223.09 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 234.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 245.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 254.70 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butene, 1-chloro-2-methyl-.
Sources
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