- InChI
- InChI=1S/C6H9ClO/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3/b5-4+
- InChI Key
- JTQXJDWMNNIVRS-SNAWJCMRSA-N
- Formula
- C6H9ClO
- SMILES
- CC/C=C(\C)C(=O)Cl
- Molecular Weight1
- 132.59
- Other Names
-
- 2-methylpent-2-enoyl chloride
- 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).
- 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 | 0.3215 | Relay (1.0) Calculated Property | |
| ΔfG° | -69.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -215.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.77 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.108 | Crippen Calculated Property | |
| McVol | 104.910 | ml/mol | McGowan Calculated Property |
| Pc | 3415.86 | kPa | Joback Calculated Property |
| Tboil | 415.17 | K | Relay (1.0) Calculated Property |
| Tc | 626.39 | K | Relay (1.0) Calculated Property |
| Tfus | 200.96 | 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 | [187.17; 237.01] | J/mol×K | [432.22; 630.48] | 
|
| Cp,gas | 187.17 | J/mol×K | 432.22 | Joback Calculated Property |
| Cp,gas | 196.70 | J/mol×K | 465.26 | Joback Calculated Property |
| Cp,gas | 205.70 | J/mol×K | 498.31 | Joback Calculated Property |
| Cp,gas | 214.21 | J/mol×K | 531.35 | Joback Calculated Property |
| Cp,gas | 222.25 | J/mol×K | 564.39 | Joback Calculated Property |
| Cp,gas | 229.84 | J/mol×K | 597.43 | Joback Calculated Property |
| Cp,gas | 237.01 | J/mol×K | 630.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentenoyl chloride, 2-methyl-.
Sources
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