- InChI
- InChI=1S/C7H9ClO2/c1-3-4-10-7(9)5-6(2)8/h1,6H,4-5H2,2H3
- InChI Key
- SXWQUSUURHRLLH-UHFFFAOYSA-N
- Formula
- C7H9ClO2
- SMILES
- C#CCOC(=O)CC(C)Cl
- 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 | 0.4161 | Relay (1.0) Calculated Property | |
| ΔfG° | -17.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -274.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.180 | Crippen Calculated Property | |
| McVol | 120.570 | ml/mol | McGowan Calculated Property |
| Pc | 3360.64 | kPa | Joback Calculated Property |
| Inp | [1017.00; 1045.00] |
|
|
| Inp | 1020.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 1035.00 | NIST | |
| Inp | 1045.00 | NIST | |
| Inp | 1020.00 | NIST | |
| I | [1749.00; 1797.00] |
|
|
| I | 1749.00 | NIST | |
| I | 1765.00 | NIST | |
| I | 1797.00 | NIST | |
| I | 1749.00 | NIST | |
| Tboil | 444.19 | K | Relay (1.0) Calculated Property |
| Tc | 649.66 | K | Relay (1.0) Calculated Property |
| Tfus | 267.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.402 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [234.78; 285.23] | J/mol×K | [462.96; 662.95] |
|
| Cp,gas | 234.78 | J/mol×K | 462.96 | Joback Calculated Property |
| Cp,gas | 244.24 | J/mol×K | 496.29 | Joback Calculated Property |
| Cp,gas | 253.27 | J/mol×K | 529.62 | Joback Calculated Property |
| Cp,gas | 261.88 | J/mol×K | 562.96 | Joback Calculated Property |
| Cp,gas | 270.07 | J/mol×K | 596.29 | Joback Calculated Property |
| Cp,gas | 277.85 | J/mol×K | 629.62 | Joback Calculated Property |
| Cp,gas | 285.23 | J/mol×K | 662.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 3-chloro, 2-propynyl ester.
Sources
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