- InChI
- InChI=1S/C4H5ClO/c1-2-3-4(5)6/h2-3H,1H3
- InChI Key
- RJUIDDKTATZJFE-UHFFFAOYSA-N
- Formula
- C4H5ClO
- SMILES
- CC=CC(=O)Cl
- Molecular Weight1
- 104.53
- CAS
- 10487-71-5
- Other Names
-
- Crotonyl chloride
- Crotonic acid chloride
- (2E)-2-butenoyl chloride
- crotonoyl chloride
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -77.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -136.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.59 | kJ/mol | Joback Calculated Property |
| log10WS | -1.28 | Crippen Calculated Property | |
| logPoct/wat | 1.328 | Crippen Calculated Property | |
| McVol | 76.730 | ml/mol | McGowan Calculated Property |
| Pc | 4305.56 | kPa | Joback Calculated Property |
| Inp | 796.00 | NIST | |
| Tboil | [394.00; 394.00] | K |
|
| Tboil | 394.00 ± 4.00 | K | NIST |
| Tboil | 394.00 ± 4.00 | K | NIST |
| Tc | 584.10 | K | Joback Calculated Property |
| Tfus | 209.61 | K | Joback Calculated Property |
| Vc | 0.294 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [116.29; 150.21] | J/mol×K | [386.38; 584.10] |
|
| Cp,gas | 116.29 | J/mol×K | 386.38 | Joback Calculated Property |
| Cp,gas | 122.83 | J/mol×K | 419.33 | Joback Calculated Property |
| Cp,gas | 128.99 | J/mol×K | 452.29 | Joback Calculated Property |
| Cp,gas | 134.79 | J/mol×K | 485.24 | Joback Calculated Property |
| Cp,gas | 140.25 | J/mol×K | 518.20 | Joback Calculated Property |
| Cp,gas | 145.38 | J/mol×K | 551.15 | Joback Calculated Property |
| Cp,gas | 150.21 | J/mol×K | 584.10 | Joback Calculated Property |
| η | [0.0002969; 0.0031414] | Pa×s | [209.61; 386.38] |
|
| η | 0.0031414 | Pa×s | 209.61 | Joback Calculated Property |
| η | 0.0016640 | Pa×s | 239.07 | Joback Calculated Property |
| η | 0.0010133 | Pa×s | 268.53 | Joback Calculated Property |
| η | 0.0006807 | Pa×s | 298.00 | Joback Calculated Property |
| η | 0.0004911 | Pa×s | 327.46 | Joback Calculated Property |
| η | 0.0003740 | Pa×s | 356.92 | Joback Calculated Property |
| η | 0.0002969 | Pa×s | 386.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenoyl chloride.
Sources
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