- InChI
- InChI=1S/C12H15ClO3/c1-9(2)7-16-12(14)8-15-11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3
- InChI Key
- KPZQJZLKVMNLLD-UHFFFAOYSA-N
- Formula
- C12H15ClO3
- SMILES
- CC(C)COC(=O)COc1ccc(Cl)cc1
- Molecular Weight1
- 242.70
- 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° | -200.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -463.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.81 | kJ/mol | Joback Calculated Property |
| log10WS | -2.99 | Crippen Calculated Property | |
| logPoct/wat | 2.918 | Crippen Calculated Property | |
| McVol | 181.730 | ml/mol | McGowan Calculated Property |
| Pc | 2370.28 | kPa | Joback Calculated Property |
| Inp | [2065.00; 2065.00] |
|
|
| Inp | 2065.00 | NIST | |
| Inp | 2065.00 | NIST | |
| Tboil | 641.32 | K | Joback Calculated Property |
| Tc | 854.00 | K | Joback Calculated Property |
| Tfus | 373.25 | K | Joback Calculated Property |
| Vc | 0.684 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [447.02; 519.05] | J/mol×K | [641.32; 854.00] |
|
| Cp,gas | 447.02 | J/mol×K | 641.32 | Joback Calculated Property |
| Cp,gas | 461.09 | J/mol×K | 676.77 | Joback Calculated Property |
| Cp,gas | 474.32 | J/mol×K | 712.21 | Joback Calculated Property |
| Cp,gas | 486.73 | J/mol×K | 747.66 | Joback Calculated Property |
| Cp,gas | 498.32 | J/mol×K | 783.10 | Joback Calculated Property |
| Cp,gas | 509.09 | J/mol×K | 818.55 | Joback Calculated Property |
| Cp,gas | 519.05 | J/mol×K | 854.00 | Joback Calculated Property |
| η | [0.0001271; 0.0013687] | Pa×s | [373.25; 641.32] |
|
| η | 0.0013687 | Pa×s | 373.25 | Joback Calculated Property |
| η | 0.0007453 | Pa×s | 417.93 | Joback Calculated Property |
| η | 0.0004564 | Pa×s | 462.61 | Joback Calculated Property |
| η | 0.0003047 | Pa×s | 507.28 | Joback Calculated Property |
| η | 0.0002172 | Pa×s | 551.96 | Joback Calculated Property |
| η | 0.0001629 | Pa×s | 596.64 | Joback Calculated Property |
| η | 0.0001271 | Pa×s | 641.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, (4-chlorophenoxy)-, isobutyl ester.
Sources
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