- InChI
- InChI=1S/C5H7ClO/c1-4(2)3-5(6)7/h3H,1-2H3
- InChI Key
- BDUBTLFQHNYXPC-UHFFFAOYSA-N
- Formula
- C5H7ClO
- SMILES
- CC(C)=CC(=O)Cl
- Molecular Weight1
- 118.56
- Other Names
-
- 3,3-Dimethylacrylyl chloride
- 2-Butenoyl chloride, 3-methyl-
- 3-methyl-2-butenoyl 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 | 0.3341 | Relay (1.0) Calculated Property | |
| ΔfG° | -77.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -218.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.63 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.718 | Crippen Calculated Property | |
| McVol | 90.820 | ml/mol | McGowan Calculated Property |
| Pc | 3834.03 | kPa | Joback Calculated Property |
| Tboil | 411.30 | K | Relay (1.0) Calculated Property |
| Tc | 594.43 | K | Relay (1.0) Calculated Property |
| Tfus | 204.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.323 | 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 | [150.53; 192.99] | J/mol×K | [409.14; 609.30] | 
|
| Cp,gas | 150.53 | J/mol×K | 409.14 | Joback Calculated Property |
| Cp,gas | 158.68 | J/mol×K | 442.50 | Joback Calculated Property |
| Cp,gas | 166.38 | J/mol×K | 475.86 | Joback Calculated Property |
| Cp,gas | 173.64 | J/mol×K | 509.22 | Joback Calculated Property |
| Cp,gas | 180.47 | J/mol×K | 542.58 | Joback Calculated Property |
| Cp,gas | 186.92 | J/mol×K | 575.94 | Joback Calculated Property |
| Cp,gas | 192.99 | J/mol×K | 609.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-METHYL-2-BUTENOYL CHLORIDE.
Sources
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