- InChI
- InChI=1S/C4H5ClO/c5-4(6)3-1-2-3/h3H,1-2H2
- InChI Key
- ZOOSILUVXHVRJE-UHFFFAOYSA-N
- Formula
- C4H5ClO
- SMILES
- O=C(Cl)C1CC1
- Molecular Weight1
- 104.53
- CAS
- 4023-34-1
- Other Names
-
- Cyclopropane carbonyl chloride
- Cyclopropylcarboxyl chloride
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -154.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.24 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.162 | Crippen Calculated Property | |
| McVol | 70.170 | ml/mol | McGowan Calculated Property |
| Tboil | [390.00; 392.20] | K |
|
| Tboil | 392.20 | K | NIST |
| Tboil | 390.00 ± 2.00 | K | NIST |
| Tfus | 185.82 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [114.13; 156.01] | J/mol×K | [389.16; 593.81] |
|
| Cp,gas | 114.13 | J/mol×K | 389.16 | Joback Calculated Property |
| Cp,gas | 122.42 | J/mol×K | 423.27 | Joback Calculated Property |
| Cp,gas | 130.14 | J/mol×K | 457.38 | Joback Calculated Property |
| Cp,gas | 137.33 | J/mol×K | 491.48 | Joback Calculated Property |
| Cp,gas | 144.01 | J/mol×K | 525.59 | Joback Calculated Property |
| Cp,gas | 150.23 | J/mol×K | 559.70 | Joback Calculated Property |
| Cp,gas | 156.01 | J/mol×K | 593.81 | Joback Calculated Property |
| η | [0.0005269; 0.0014581] | Pa×s | [232.63; 389.16] |
|
| η | 0.0014581 | Pa×s | 232.63 | Joback Calculated Property |
| η | 0.0011297 | Pa×s | 258.72 | Joback Calculated Property |
| η | 0.0009171 | Pa×s | 284.81 | Joback Calculated Property |
| η | 0.0007711 | Pa×s | 310.89 | Joback Calculated Property |
| η | 0.0006659 | Pa×s | 336.98 | Joback Calculated Property |
| η | 0.0005874 | Pa×s | 363.07 | Joback Calculated Property |
| η | 0.0005269 | Pa×s | 389.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropanecarboxylic acid chloride.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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