- InChI
- InChI=1S/C8H11ClO2/c1-7(2)6-8(10)11-5-3-4-9/h3-4,6H,5H2,1-2H3/b4-3+
- InChI Key
- UHEWJISEFLFVKJ-ONEGZZNKSA-N
- Formula
- C8H11ClO2
- SMILES
- CC(C)=CC(=O)OCC=CCl
- Molecular Weight1
- 174.62
- 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 | 0.4458 | Relay (1.0) Calculated Property | |
| ΔfG° | -77.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -375.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.248 | Crippen Calculated Property | |
| McVol | 134.660 | ml/mol | McGowan Calculated Property |
| Pc | 2865.80 | kPa | Joback Calculated Property |
| Inp | [1180.00; 1180.00] |
|
|
| Inp | 1180.00 | NIST | |
| Inp | 1180.00 | NIST | |
| Tboil | 474.47 | K | Relay (1.0) Calculated Property |
| Tc | 673.58 | K | Relay (1.0) Calculated Property |
| Tfus | 252.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.462 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.19; 330.11] | J/mol×K | [504.36; 705.80] |
|
| Cp,gas | 272.19 | J/mol×K | 504.36 | Joback Calculated Property |
| Cp,gas | 283.26 | J/mol×K | 537.93 | Joback Calculated Property |
| Cp,gas | 293.73 | J/mol×K | 571.51 | Joback Calculated Property |
| Cp,gas | 303.62 | J/mol×K | 605.08 | Joback Calculated Property |
| Cp,gas | 312.96 | J/mol×K | 638.65 | Joback Calculated Property |
| Cp,gas | 321.78 | J/mol×K | 672.22 | Joback Calculated Property |
| Cp,gas | 330.11 | J/mol×K | 705.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-butenoic acid, 3-chloroprop-2-enyl ester.
Sources
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