- InChI
- InChI=1S/C11H13ClO3/c1-2-14-6-7-15-11(13)9-4-3-5-10(12)8-9/h3-5,8H,2,6-7H2,1H3
- InChI Key
- OKFPXGDJPMSNHK-UHFFFAOYSA-N
- Formula
- C11H13ClO3
- SMILES
- CCOCCOC(=O)c1cccc(Cl)c1
- Molecular Weight1
- 228.67
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.6258 | Relay (... Calculated Property | |
| ΔfG° | -206.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -495.91 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.07 | kJ/mol | Relay (... Calculated Property |
| IE | 9.10 | eV | Relay (... Calculated Property |
| log10WS | -3.12 | Relay (... Calculated Property | |
| logPoct/wat | 2.533 | Crippen Calculated Property | |
| McVol | 167.640 | ml/mol | McGowan Calculated Property |
| Pc | 2587.22 | kPa | Joback Calculated Property |
| Inp | 1645.00 | NIST | |
| Tboil | 567.00 | K | Relay (... Calculated Property |
| Tc | 757.71 | K | Relay (... Calculated Property |
| Tfus | 261.40 | K | Relay (... Calculated Property |
| Vc | 0.606 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [397.18; 464.60] | J/mol×K | [618.88; 830.85] | 
|
| Cp,gas | 397.18 | J/mol×K | 618.88 | Joback Calculated Property |
| Cp,gas | 410.26 | J/mol×K | 654.21 | Joback Calculated Property |
| Cp,gas | 422.61 | J/mol×K | 689.54 | Joback Calculated Property |
| Cp,gas | 434.21 | J/mol×K | 724.87 | Joback Calculated Property |
| Cp,gas | 445.07 | J/mol×K | 760.19 | Joback Calculated Property |
| Cp,gas | 455.20 | J/mol×K | 795.52 | Joback Calculated Property |
| Cp,gas | 464.60 | J/mol×K | 830.85 | Joback Calculated Property |
| η | [0.0001522; 0.0011984] | Pa×s | [376.98; 618.88] |
|
| η | 0.0011984 | Pa×s | 376.98 | Joback Calculated Property |
| η | 0.0007196 | Pa×s | 417.30 | Joback Calculated Property |
| η | 0.0004728 | Pa×s | 457.61 | Joback Calculated Property |
| η | 0.0003324 | Pa×s | 497.93 | Joback Calculated Property |
| η | 0.0002464 | Pa×s | 538.25 | Joback Calculated Property |
| η | 0.0001905 | Pa×s | 578.56 | Joback Calculated Property |
| η | 0.0001522 | Pa×s | 618.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chlorobenzoic acid, 2-ethoxyethyl ester.
Sources
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