- InChI
- InChI=1S/C7H9ClO2/c1-2-6-10-7(9)4-3-5-8/h1H,3-6H2
- InChI Key
- DEICQYWFSRQMEV-UHFFFAOYSA-N
- Formula
- C7H9ClO2
- SMILES
- C#CCOC(=O)CCCCl
- Molecular Weight1
- 160.60
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4555 | Relay (1.0) Calculated Property | |
| ΔfG° | -14.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -256.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.182 | Crippen Calculated Property | |
| McVol | 120.570 | ml/mol | McGowan Calculated Property |
| Pc | 3329.68 | kPa | Joback Calculated Property |
| Inp | [1089.00; 1115.00] |
|
|
| Inp | 1111.00 | NIST | |
| Inp | 1089.00 | NIST | |
| Inp | 1109.00 | NIST | |
| Inp | 1115.00 | NIST | |
| I | [1817.00; 1892.00] |
|
|
| I | 1817.00 | NIST | |
| I | 1817.00 | NIST | |
| I | 1858.00 | NIST | |
| I | 1867.00 | NIST | |
| I | 1892.00 | NIST | |
| Tboil | 472.51 | K | Relay (1.0) Calculated Property |
| Tc | 668.22 | K | Relay (1.0) Calculated Property |
| Tfus | 246.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.408 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [234.58; 283.67] | J/mol×K | [463.40; 658.89] |
|
| Cp,gas | 234.58 | J/mol×K | 463.40 | Joback Calculated Property |
| Cp,gas | 243.75 | J/mol×K | 495.98 | Joback Calculated Property |
| Cp,gas | 252.51 | J/mol×K | 528.56 | Joback Calculated Property |
| Cp,gas | 260.88 | J/mol×K | 561.14 | Joback Calculated Property |
| Cp,gas | 268.86 | J/mol×K | 593.73 | Joback Calculated Property |
| Cp,gas | 276.45 | J/mol×K | 626.31 | Joback Calculated Property |
| Cp,gas | 283.67 | J/mol×K | 658.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 4-chloro, 2-propynyl ester.
Sources
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