- InChI
- InChI=1S/C13H17ClO2/c1-4-10(5-2)13(15)16-12-7-6-11(14)8-9(12)3/h6-8,10H,4-5H2,1-3H3
- InChI Key
- FRAIQDZTEFSSKV-UHFFFAOYSA-N
- Formula
- C13H17ClO2
- SMILES
- CCC(CC)C(=O)Oc1ccc(Cl)cc1C
- Molecular Weight1
- 240.73
- 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° | -96.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -363.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.28 | kJ/mol | Joback Calculated Property |
| log10WS | -4.38 | Crippen Calculated Property | |
| logPoct/wat | 3.990 | Crippen Calculated Property | |
| McVol | 189.950 | ml/mol | McGowan Calculated Property |
| Pc | 2167.36 | kPa | Joback Calculated Property |
| Inp | [1647.00; 1647.00] |
|
|
| Inp | 1647.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Tboil | 646.76 | K | Joback Calculated Property |
| Tc | 859.26 | K | Joback Calculated Property |
| Tfus | 374.81 | K | Joback Calculated Property |
| Vc | 0.723 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [471.14; 547.07] | J/mol×K | [646.76; 859.26] |
|
| Cp,gas | 471.14 | J/mol×K | 646.76 | Joback Calculated Property |
| Cp,gas | 485.89 | J/mol×K | 682.18 | Joback Calculated Property |
| Cp,gas | 499.79 | J/mol×K | 717.59 | Joback Calculated Property |
| Cp,gas | 512.83 | J/mol×K | 753.01 | Joback Calculated Property |
| Cp,gas | 525.05 | J/mol×K | 788.43 | Joback Calculated Property |
| Cp,gas | 536.46 | J/mol×K | 823.84 | Joback Calculated Property |
| Cp,gas | 547.07 | J/mol×K | 859.26 | Joback Calculated Property |
| η | [0.0001437; 0.0014216] | Pa×s | [374.81; 646.76] |
|
| η | 0.0014216 | Pa×s | 374.81 | Joback Calculated Property |
| η | 0.0007896 | Pa×s | 420.13 | Joback Calculated Property |
| η | 0.0004918 | Pa×s | 465.46 | Joback Calculated Property |
| η | 0.0003332 | Pa×s | 510.78 | Joback Calculated Property |
| η | 0.0002405 | Pa×s | 556.11 | Joback Calculated Property |
| η | 0.0001823 | Pa×s | 601.43 | Joback Calculated Property |
| η | 0.0001437 | Pa×s | 646.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylbutyric acid, 4-chloro-2-methylphenyl ester.
Sources
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