- InChI
- InChI=1S/C5H5ClO2/c1-2-3-4-8-5(6)7/h4H2,1H3
- InChI Key
- MFKKPMUEGDJJSL-UHFFFAOYSA-N
- Formula
- C5H5ClO2
- SMILES
- CC#CCOC(=O)Cl
- Molecular Weight1
- 132.54
- CAS
- 202591-85-3
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -180.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.99 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.385 | Crippen Calculated Property | |
| McVol | 92.390 | ml/mol | McGowan Calculated Property |
| Inp | [919.00; 919.00] |
|
|
| Inp | 919.00 | NIST | |
| Inp | 919.00 | NIST | |
| Tboil | 413.41 | K | Relay (1.0) Calculated Property |
| Tc | 591.12 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [155.97; 193.17] | J/mol×K | [418.65; 627.55] |
|
| Cp,gas | 155.97 | J/mol×K | 418.65 | Joback Calculated Property |
| Cp,gas | 162.86 | J/mol×K | 453.47 | Joback Calculated Property |
| Cp,gas | 169.48 | J/mol×K | 488.28 | Joback Calculated Property |
| Cp,gas | 175.82 | J/mol×K | 523.10 | Joback Calculated Property |
| Cp,gas | 181.89 | J/mol×K | 557.92 | Joback Calculated Property |
| Cp,gas | 187.68 | J/mol×K | 592.74 | Joback Calculated Property |
| Cp,gas | 193.17 | J/mol×K | 627.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butyn-1-yl chloroformate.
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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