- InChI
- InChI=1S/C14H18O3/c1-11(2)10-17-14(16)9-8-13(15)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
- InChI Key
- JDSNVPCDHHNIPF-UHFFFAOYSA-N
- Formula
- C14H18O3
- SMILES
- CC(C)COC(=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° | -185.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -458.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.55 | kJ/mol | Joback Calculated Property |
| log10WS | -3.26 | Crippen Calculated Property | |
| logPoct/wat | 2.849 | Crippen Calculated Property | |
| McVol | 193.370 | ml/mol | McGowan Calculated Property |
| Pc | 2237.64 | kPa | Joback Calculated Property |
| Inp | [1836.00; 1836.00] |
|
|
| Inp | 1836.00 | NIST | |
| Inp | 1836.00 | NIST | |
| Tboil | 676.12 | K | Joback Calculated Property |
| Tc | 886.75 | K | Joback Calculated Property |
| Tfus | 381.05 | K | Joback Calculated Property |
| Vc | 0.736 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [514.75; 591.60] | J/mol×K | [676.12; 886.75] |
|
| Cp,gas | 514.75 | J/mol×K | 676.12 | Joback Calculated Property |
| Cp,gas | 529.89 | J/mol×K | 711.22 | Joback Calculated Property |
| Cp,gas | 544.07 | J/mol×K | 746.33 | Joback Calculated Property |
| Cp,gas | 557.30 | J/mol×K | 781.43 | Joback Calculated Property |
| Cp,gas | 569.61 | J/mol×K | 816.54 | Joback Calculated Property |
| Cp,gas | 581.04 | J/mol×K | 851.64 | Joback Calculated Property |
| Cp,gas | 591.60 | J/mol×K | 886.75 | Joback Calculated Property |
| η | [0.0001428; 0.0020219] | Pa×s | [381.05; 676.12] |
|
| η | 0.0020219 | Pa×s | 381.05 | Joback Calculated Property |
| η | 0.0010098 | Pa×s | 430.23 | Joback Calculated Property |
| η | 0.0005816 | Pa×s | 479.41 | Joback Calculated Property |
| η | 0.0003711 | Pa×s | 528.59 | Joback Calculated Property |
| η | 0.0002557 | Pa×s | 577.76 | Joback Calculated Property |
| η | 0.0001867 | Pa×s | 626.94 | Joback Calculated Property |
| η | 0.0001428 | Pa×s | 676.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Oxo-4-phenylbutyric acid, isobutyl ester.
Sources
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