- InChI
- InChI=1S/C8H9ClO2/c1-2-3-4-7-11-8(10)5-6-9/h1,3-4H,5-7H2
- InChI Key
- JBIDPFGDHSPIBB-UHFFFAOYSA-N
- Formula
- C8H9ClO2
- SMILES
- C#CC=CCOC(=O)CCCl
- Molecular Weight1
- 172.61
- 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.
- 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 | 0.4060 | Relay (1.0) Calculated Property | |
| ΔfG° | 73.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -174.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.348 | Crippen Calculated Property | |
| McVol | 130.360 | ml/mol | McGowan Calculated Property |
| Pc | 3166.83 | kPa | Joback Calculated Property |
| Inp | 1223.00 | NIST | |
| Tboil | 482.10 | K | Relay (1.0) Calculated Property |
| Tc | 688.94 | K | Relay (1.0) Calculated Property |
| Tfus | 303.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.428 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.28; 308.76] | J/mol×K | [490.44; 692.80] | 
|
| Cp,gas | 257.28 | J/mol×K | 490.44 | Joback Calculated Property |
| Cp,gas | 267.11 | J/mol×K | 524.17 | Joback Calculated Property |
| Cp,gas | 276.41 | J/mol×K | 557.89 | Joback Calculated Property |
| Cp,gas | 285.21 | J/mol×K | 591.62 | Joback Calculated Property |
| Cp,gas | 293.51 | J/mol×K | 625.35 | Joback Calculated Property |
| Cp,gas | 301.36 | J/mol×K | 659.08 | Joback Calculated Property |
| Cp,gas | 308.76 | J/mol×K | 692.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloropropionic acid, pent-2-en-4-ynyl ester.
Sources
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