- 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.
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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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [81.22; 202.72] | 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 | -3.07400e+01 | |||
| Coefficient B | 5.13500e-01 | |||
| Coefficient C | -4.15700e-04 | |||
| Coefficient D | 1.35660e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 81.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 104.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 125.04 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 142.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 156.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 168.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 178.69 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 187.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 195.40 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 202.72 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014581; 0.0004784] | Pa×s | [232.63; 415.67] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -9.06147e+00 | |||
| Coefficient B | 5.88750e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 232.63 | |||
| Temperature range, max. | 415.67 | |||
| η | 0.0014581 | Pa×s | 232.63 | Calculated Property |
| η | 0.0011897 | Pa×s | 252.97 | Calculated Property |
| η | 0.0010005 | Pa×s | 273.30 | Calculated Property |
| η | 0.0008618 | Pa×s | 293.64 | Calculated Property |
| η | 0.0007569 | Pa×s | 313.98 | Calculated Property |
| η | 0.0006753 | Pa×s | 334.32 | Calculated Property |
| η | 0.0006104 | Pa×s | 354.65 | Calculated Property |
| η | 0.0005578 | Pa×s | 374.99 | Calculated Property |
| η | 0.0005146 | Pa×s | 395.33 | Calculated Property |
| η | 0.0004784 | Pa×s | 415.67 | 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
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