- InChI
- InChI=1S/C12H15ClO2/c1-9-5-6-11(8-10(9)2)15-12(14)4-3-7-13/h5-6,8H,3-4,7H2,1-2H3
- InChI Key
- FRQFOERERRZLDX-UHFFFAOYSA-N
- Formula
- C12H15ClO2
- SMILES
- Cc1ccc(OC(=O)CCCCl)cc1C
- Molecular Weight1
- 226.70
- 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° | -102.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -337.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.45 | kJ/mol | Joback Calculated Property |
| log10WS | -3.73 | Crippen Calculated Property | |
| logPoct/wat | 3.228 | Crippen Calculated Property | |
| McVol | 175.860 | ml/mol | McGowan Calculated Property |
| Pc | 2356.49 | kPa | Joback Calculated Property |
| Inp | [1792.00; 1792.00] |
|
|
| Inp | 1792.00 | NIST | |
| Inp | 1792.00 | NIST | |
| Tboil | 624.32 | K | Joback Calculated Property |
| Tc | 836.12 | K | Joback Calculated Property |
| Tfus | 378.54 | K | Joback Calculated Property |
| Vc | 0.672 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [420.60; 492.04] | J/mol×K | [624.32; 836.12] |
|
| Cp,gas | 420.60 | J/mol×K | 624.32 | Joback Calculated Property |
| Cp,gas | 434.41 | J/mol×K | 659.62 | Joback Calculated Property |
| Cp,gas | 447.44 | J/mol×K | 694.92 | Joback Calculated Property |
| Cp,gas | 459.71 | J/mol×K | 730.22 | Joback Calculated Property |
| Cp,gas | 471.22 | J/mol×K | 765.52 | Joback Calculated Property |
| Cp,gas | 481.99 | J/mol×K | 800.82 | Joback Calculated Property |
| Cp,gas | 492.04 | J/mol×K | 836.12 | Joback Calculated Property |
| η | [0.0001712; 0.0012490] | Pa×s | [378.54; 624.32] |
|
| η | 0.0012490 | Pa×s | 378.54 | Joback Calculated Property |
| η | 0.0007630 | Pa×s | 419.50 | Joback Calculated Property |
| η | 0.0005088 | Pa×s | 460.47 | Joback Calculated Property |
| η | 0.0003625 | Pa×s | 501.43 | Joback Calculated Property |
| η | 0.0002718 | Pa×s | 542.39 | Joback Calculated Property |
| η | 0.0002123 | Pa×s | 583.36 | Joback Calculated Property |
| η | 0.0001712 | Pa×s | 624.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobutyric acid, 3,4-dimethylphenyl ester.
Sources
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