- InChI
- InChI=1S/C13H17ClO3/c1-3-16-13(15)5-4-8-17-12-7-6-11(14)9-10(12)2/h6-7,9H,3-5,8H2,1-2H3
- InChI Key
- XNKARWLGLZGMGX-UHFFFAOYSA-N
- Formula
- C13H17ClO3
- SMILES
- CCOC(=O)CCCOc1ccc(Cl)cc1C
- Molecular Weight1
- 256.73
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -199.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -490.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.08 | kJ/mol | Joback Calculated Property |
| log10WS | -3.71 | Crippen Calculated Property | |
| logPoct/wat | 3.371 | Crippen Calculated Property | |
| McVol | 195.820 | ml/mol | McGowan Calculated Property |
| Pc | 2117.78 | kPa | Joback Calculated Property |
| Inp | [2177.00; 2177.00] |
|
|
| Inp | 2177.00 | NIST | |
| Inp | 2177.00 | NIST | |
| Tboil | 669.62 | K | Joback Calculated Property |
| Tc | 876.10 | K | Joback Calculated Property |
| Tfus | 412.04 | K | Joback Calculated Property |
| Vc | 0.747 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [496.56; 569.61] | J/mol×K | [669.62; 876.10] |
|
| Cp,gas | 496.56 | J/mol×K | 669.62 | Joback Calculated Property |
| Cp,gas | 510.74 | J/mol×K | 704.03 | Joback Calculated Property |
| Cp,gas | 524.12 | J/mol×K | 738.45 | Joback Calculated Property |
| Cp,gas | 536.69 | J/mol×K | 772.86 | Joback Calculated Property |
| Cp,gas | 548.46 | J/mol×K | 807.27 | Joback Calculated Property |
| Cp,gas | 559.43 | J/mol×K | 841.69 | Joback Calculated Property |
| Cp,gas | 569.61 | J/mol×K | 876.10 | Joback Calculated Property |
| η | [0.0001213; 0.0008835] | Pa×s | [412.04; 669.62] |
|
| η | 0.0008835 | Pa×s | 412.04 | Joback Calculated Property |
| η | 0.0005428 | Pa×s | 454.97 | Joback Calculated Property |
| η | 0.0003627 | Pa×s | 497.90 | Joback Calculated Property |
| η | 0.0002584 | Pa×s | 540.83 | Joback Calculated Property |
| η | 0.0001935 | Pa×s | 583.76 | Joback Calculated Property |
| η | 0.0001508 | Pa×s | 626.69 | Joback Calculated Property |
| η | 0.0001213 | Pa×s | 669.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(4-Chloro-2-methylphenoxy)butyric acid, ethyl ester.
Sources
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