- InChI
- InChI=1S/C8H13ClO2/c1-7(2)4-6-11-8(10)3-5-9/h4H,3,5-6H2,1-2H3
- InChI Key
- JQSINDIMIDHUQE-UHFFFAOYSA-N
- Formula
- C8H13ClO2
- SMILES
- CC(C)=CCOC(=O)CCCl
- Molecular Weight1
- 176.64
- 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 | 0.4700 | Relay (1.0) Calculated Property | |
| ΔfG° | -157.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -462.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.125 | Crippen Calculated Property | |
| McVol | 138.960 | ml/mol | McGowan Calculated Property |
| Pc | 2712.67 | kPa | Joback Calculated Property |
| Inp | 1168.00 | NIST | |
| Tboil | 484.32 | K | Relay (1.0) Calculated Property |
| Tc | 669.70 | K | Relay (1.0) Calculated Property |
| Tfus | 231.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.489 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [289.98; 351.69] | J/mol×K | [500.20; 692.68] | 
|
| Cp,gas | 289.98 | J/mol×K | 500.20 | Joback Calculated Property |
| Cp,gas | 301.57 | J/mol×K | 532.28 | Joback Calculated Property |
| Cp,gas | 312.61 | J/mol×K | 564.36 | Joback Calculated Property |
| Cp,gas | 323.13 | J/mol×K | 596.44 | Joback Calculated Property |
| Cp,gas | 333.14 | J/mol×K | 628.52 | Joback Calculated Property |
| Cp,gas | 342.66 | J/mol×K | 660.60 | Joback Calculated Property |
| Cp,gas | 351.69 | J/mol×K | 692.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloropropionic acid, 3-methylbut-2-enyl ester.
Sources
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