- InChI
- InChI=1S/C5H5ClO2/c1-2-3-4-8-5(6)7/h1H,3-4H2
- InChI Key
- SFGWUXNQJVLABT-UHFFFAOYSA-N
- Formula
- C5H5ClO2
- SMILES
- C#CCCOC(=O)Cl
- Molecular Weight1
- 132.54
- CAS
- 190774-49-3
- 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).
- 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° | -31.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -115.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.12 | kJ/mol | Joback Calculated Property |
| log10WS | -1.70 | Crippen Calculated Property | |
| logPoct/wat | 1.385 | Crippen Calculated Property | |
| McVol | 92.390 | ml/mol | McGowan Calculated Property |
| Pc | 4211.09 | kPa | Joback Calculated Property |
| Inp | 851.00 | NIST | |
| Tboil | 417.64 | K | Joback Calculated Property |
| Tc | 617.44 | K | Joback Calculated Property |
| Tfus | 295.16 | K | Joback Calculated Property |
| Vc | 0.350 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [160.72; 194.80] | J/mol×K | [417.64; 617.44] | 
|
| Cp,gas | 160.72 | J/mol×K | 417.64 | Joback Calculated Property |
| Cp,gas | 167.05 | J/mol×K | 450.94 | Joback Calculated Property |
| Cp,gas | 173.12 | J/mol×K | 484.24 | Joback Calculated Property |
| Cp,gas | 178.92 | J/mol×K | 517.54 | Joback Calculated Property |
| Cp,gas | 184.47 | J/mol×K | 550.84 | Joback Calculated Property |
| Cp,gas | 189.76 | J/mol×K | 584.14 | Joback Calculated Property |
| Cp,gas | 194.80 | J/mol×K | 617.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Butyn-1-yl chloroformate.
Sources
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