- InChI
- InChI=1S/C11H11ClO2/c1-8(2)7-11(13)14-10-5-3-9(12)4-6-10/h3-7H,1-2H3
- InChI Key
- CFKIJEHSEFGFHA-UHFFFAOYSA-N
- Formula
- C11H11ClO2
- SMILES
- CC(C)=CC(=O)Oc1ccc(Cl)cc1
- Molecular Weight1
- 210.66
- 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 | 0.5405 | Relay (1.0) Calculated Property | |
| ΔfG° | -29.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -294.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.212 | Crippen Calculated Property | |
| McVol | 157.470 | ml/mol | McGowan Calculated Property |
| Pc | 2793.56 | kPa | Joback Calculated Property |
| Inp | 1538.00 | NIST | |
| Tboil | 538.36 | K | Relay (1.0) Calculated Property |
| Tc | 762.53 | K | Relay (1.0) Calculated Property |
| Tfus | 333.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.557 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [352.06; 417.29] | J/mol×K | [600.50; 828.28] | 
|
| Cp,gas | 352.06 | J/mol×K | 600.50 | Joback Calculated Property |
| Cp,gas | 364.94 | J/mol×K | 638.46 | Joback Calculated Property |
| Cp,gas | 376.97 | J/mol×K | 676.43 | Joback Calculated Property |
| Cp,gas | 388.18 | J/mol×K | 714.39 | Joback Calculated Property |
| Cp,gas | 398.61 | J/mol×K | 752.35 | Joback Calculated Property |
| Cp,gas | 408.30 | J/mol×K | 790.32 | Joback Calculated Property |
| Cp,gas | 417.29 | J/mol×K | 828.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methylbut-2-enoic acid, 4-chlorophenyl ester.
Sources
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