- 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).
- 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° | -51.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -134.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.42 | 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 | 4277.45 | kPa | Joback Calculated Property |
| Inp | [919.00; 919.00] |
|
|
| Inp | 919.00 | NIST | |
| Inp | 919.00 | NIST | |
| Tboil | 436.52 | K | Joback Calculated Property |
| Tc | 649.34 | K | Joback Calculated Property |
| Tfus | 354.29 | K | Joback Calculated Property |
| Vc | 0.350 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [157.23; 193.23] | J/mol×K | [436.52; 649.34] |
|
| Cp,gas | 157.23 | J/mol×K | 436.52 | Joback Calculated Property |
| Cp,gas | 163.79 | J/mol×K | 471.99 | Joback Calculated Property |
| Cp,gas | 170.14 | J/mol×K | 507.46 | Joback Calculated Property |
| Cp,gas | 176.27 | J/mol×K | 542.93 | Joback Calculated Property |
| Cp,gas | 182.16 | J/mol×K | 578.40 | Joback Calculated Property |
| Cp,gas | 187.82 | J/mol×K | 613.87 | Joback Calculated Property |
| Cp,gas | 193.23 | J/mol×K | 649.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butyn-1-yl chloroformate.
Sources
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