- InChI
- InChI=1S/C11H13ClO3/c1-11(2,10(13)14-3)15-9-6-4-8(12)5-7-9/h4-7H,1-3H3
- InChI Key
- UXIVINXAZVEIMC-UHFFFAOYSA-N
- Formula
- C11H13ClO3
- SMILES
- COC(=O)C(C)(C)Oc1ccc(Cl)cc1
- Molecular Weight1
- 228.67
- CAS
- 55162-41-9
- Other Names
-
- CPIB methyl ester
- 2-(4-Chlorophenoxy)-2-methylpropanoic acid methyl ester
- Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, methyl ester
- Clofibrate Me
- 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.
- I : 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° | -203.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -446.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.67 | kJ/mol | Joback Calculated Property |
| log10WS | -2.93 | Crippen Calculated Property | |
| logPoct/wat | 2.670 | Crippen Calculated Property | |
| McVol | 167.640 | ml/mol | McGowan Calculated Property |
| Pc | 2637.96 | kPa | Joback Calculated Property |
| Inp | [1472.00; 1474.00] |
|
|
| Inp | 1473.00 | NIST | |
| Inp | 1474.00 | NIST | |
| Inp | 1472.00 | NIST | |
| I | [2025.00; 2026.00] |
|
|
| I | 2025.00 | NIST | |
| I | 2026.00 | NIST | |
| Tboil | 615.65 | K | Joback Calculated Property |
| Tc | 840.24 | K | Joback Calculated Property |
| Tfus | 379.40 | K | Joback Calculated Property |
| Vc | 0.624 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [400.61; 469.60] | J/mol×K | [615.65; 840.24] |
|
| Cp,gas | 400.61 | J/mol×K | 615.65 | Joback Calculated Property |
| Cp,gas | 414.32 | J/mol×K | 653.08 | Joback Calculated Property |
| Cp,gas | 427.11 | J/mol×K | 690.51 | Joback Calculated Property |
| Cp,gas | 439.01 | J/mol×K | 727.95 | Joback Calculated Property |
| Cp,gas | 450.04 | J/mol×K | 765.38 | Joback Calculated Property |
| Cp,gas | 460.23 | J/mol×K | 802.81 | Joback Calculated Property |
| Cp,gas | 469.60 | J/mol×K | 840.24 | Joback Calculated Property |
| η | [0.0001342; 0.0012806] | Pa×s | [379.40; 615.65] |
|
| η | 0.0012806 | Pa×s | 379.40 | Joback Calculated Property |
| η | 0.0007368 | Pa×s | 418.78 | Joback Calculated Property |
| η | 0.0004661 | Pa×s | 458.15 | Joback Calculated Property |
| η | 0.0003171 | Pa×s | 497.52 | Joback Calculated Property |
| η | 0.0002282 | Pa×s | 536.90 | Joback Calculated Property |
| η | 0.0001718 | Pa×s | 576.27 | Joback Calculated Property |
| η | 0.0001342 | Pa×s | 615.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, methyl ester.
Sources
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