- InChI
- InChI=1S/C14H18O3/c1-9(2)13(15)12-7-5-11(6-8-12)10(3)14(16)17-4/h5-10H,1-4H3
- InChI Key
- DWRCPULQORBTIR-UHFFFAOYSA-N
- Formula
- C14H18O3
- SMILES
-
COC(=O)C(C)c1ccc(C(=O)C(C)C)cc
1 - Molecular Weight1
- 234.29
- 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° | -197.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -475.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.82 | kJ/mol | Joback Calculated Property |
| log10WS | -3.19 | Crippen Calculated Property | |
| logPoct/wat | 2.802 | Crippen Calculated Property | |
| McVol | 193.370 | ml/mol | McGowan Calculated Property |
| Pc | 2222.89 | kPa | Joback Calculated Property |
| Inp | [1712.00; 1712.00] |
|
|
| Inp | 1712.00 | NIST | |
| Inp | 1712.00 | NIST | |
| Tboil | 680.66 | K | Joback Calculated Property |
| Tc | 896.03 | K | Joback Calculated Property |
| Tfus | 378.57 | K | Joback Calculated Property |
| Vc | 0.730 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [514.49; 591.86] | J/mol×K | [680.66; 896.03] |
|
| Cp,gas | 514.49 | J/mol×K | 680.66 | Joback Calculated Property |
| Cp,gas | 529.78 | J/mol×K | 716.56 | Joback Calculated Property |
| Cp,gas | 544.08 | J/mol×K | 752.45 | Joback Calculated Property |
| Cp,gas | 557.42 | J/mol×K | 788.35 | Joback Calculated Property |
| Cp,gas | 569.81 | J/mol×K | 824.24 | Joback Calculated Property |
| Cp,gas | 581.29 | J/mol×K | 860.14 | Joback Calculated Property |
| Cp,gas | 591.86 | J/mol×K | 896.03 | Joback Calculated Property |
| η | [0.0001314; 0.0019510] | Pa×s | [378.57; 680.66] |
|
| η | 0.0019510 | Pa×s | 378.57 | Joback Calculated Property |
| η | 0.0009559 | Pa×s | 428.92 | Joback Calculated Property |
| η | 0.0005441 | Pa×s | 479.27 | Joback Calculated Property |
| η | 0.0003447 | Pa×s | 529.62 | Joback Calculated Property |
| η | 0.0002364 | Pa×s | 579.96 | Joback Calculated Property |
| η | 0.0001722 | Pa×s | 630.31 | Joback Calculated Property |
| η | 0.0001314 | Pa×s | 680.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(4-Isobutyrylphenyl)propanoic acid, methyl.
Sources
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