- InChI
- InChI=1S/C14H18O3/c1-2-3-11-17-14(16)10-9-13(15)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
- InChI Key
- AGWBSBAKSDAOBZ-UHFFFAOYSA-N
- Formula
- C14H18O3
- SMILES
- CCCCOC(=O)CCC(=O)c1ccccc1
- 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° | -183.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -453.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.94 | kJ/mol | Joback Calculated Property |
| log10WS | -3.51 | Crippen Calculated Property | |
| logPoct/wat | 2.993 | Crippen Calculated Property | |
| McVol | 193.370 | ml/mol | McGowan Calculated Property |
| Pc | 2220.80 | kPa | Joback Calculated Property |
| Inp | [1881.00; 1881.00] |
|
|
| Inp | 1881.00 | NIST | |
| Inp | 1881.00 | NIST | |
| Tboil | 676.56 | K | Joback Calculated Property |
| Tc | 883.44 | K | Joback Calculated Property |
| Tfus | 396.05 | K | Joback Calculated Property |
| Vc | 0.742 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [514.24; 589.94] | J/mol×K | [676.56; 883.44] |
|
| Cp,gas | 514.24 | J/mol×K | 676.56 | Joback Calculated Property |
| Cp,gas | 529.09 | J/mol×K | 711.04 | Joback Calculated Property |
| Cp,gas | 543.01 | J/mol×K | 745.52 | Joback Calculated Property |
| Cp,gas | 556.03 | J/mol×K | 780.00 | Joback Calculated Property |
| Cp,gas | 568.17 | J/mol×K | 814.48 | Joback Calculated Property |
| Cp,gas | 579.46 | J/mol×K | 848.96 | Joback Calculated Property |
| Cp,gas | 589.94 | J/mol×K | 883.44 | Joback Calculated Property |
| η | [0.0001540; 0.0016695] | Pa×s | [396.05; 676.56] |
|
| η | 0.0016695 | Pa×s | 396.05 | Joback Calculated Property |
| η | 0.0009099 | Pa×s | 442.80 | Joback Calculated Property |
| η | 0.0005569 | Pa×s | 489.55 | Joback Calculated Property |
| η | 0.0003713 | Pa×s | 536.30 | Joback Calculated Property |
| η | 0.0002642 | Pa×s | 583.06 | Joback Calculated Property |
| η | 0.0001977 | Pa×s | 629.81 | Joback Calculated Property |
| η | 0.0001540 | Pa×s | 676.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Oxo-4-phenylbutyric acid, butyl ester.
Sources
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