- InChI
- InChI=1S/C6H7ClO2/c1-3-4-9-6(8)5(2)7/h1,5H,4H2,2H3
- InChI Key
- IOJGKOMZXQERIZ-UHFFFAOYSA-N
- Formula
- C6H7ClO2
- SMILES
- C#CCOC(=O)C(C)Cl
- Molecular Weight1
- 146.57
- CAS
- 55360-12-8
- Other Names
-
- prop-2-ynyl-2-chloropropionate
- 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.
- I : 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° | -25.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -141.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.96 | kJ/mol | Joback Calculated Property |
| log10WS | -1.26 | Crippen Calculated Property | |
| logPoct/wat | 0.790 | Crippen Calculated Property | |
| McVol | 106.480 | ml/mol | McGowan Calculated Property |
| Pc | 3768.41 | kPa | Joback Calculated Property |
| Inp | [914.00; 953.00] |
|
|
| Inp | 924.00 | NIST | |
| Inp | 914.00 | NIST | |
| Inp | 933.00 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 948.00 | NIST | |
| Inp | 924.00 | NIST | |
| I | [1575.00; 1588.00] |
|
|
| I | 1580.00 | NIST | |
| I | 1575.00 | NIST | |
| I | 1588.00 | NIST | |
| I | 1580.00 | NIST | |
| Tboil | 440.08 | K | Joback Calculated Property |
| Tc | 642.49 | K | Joback Calculated Property |
| Tfus | 291.43 | K | Joback Calculated Property |
| Vc | 0.401 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [196.65; 239.92] | J/mol×K | [440.08; 642.49] |
|
| Cp,gas | 196.65 | J/mol×K | 440.08 | Joback Calculated Property |
| Cp,gas | 204.75 | J/mol×K | 473.81 | Joback Calculated Property |
| Cp,gas | 212.49 | J/mol×K | 507.55 | Joback Calculated Property |
| Cp,gas | 219.87 | J/mol×K | 541.28 | Joback Calculated Property |
| Cp,gas | 226.90 | J/mol×K | 575.02 | Joback Calculated Property |
| Cp,gas | 233.58 | J/mol×K | 608.75 | Joback Calculated Property |
| Cp,gas | 239.92 | J/mol×K | 642.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-chloro, 2-propynyl ester.
Sources
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