- InChI
- InChI=1S/C17H24O3/c1-2-3-4-5-9-14-20-17(19)13-12-16(18)15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3
- InChI Key
- JZBJPXTZEBUACK-UHFFFAOYSA-N
- Formula
- C17H24O3
- SMILES
- CCCCCCCOC(=O)CCC(=O)c1ccccc1
- Molecular Weight1
- 276.37
- 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° | -158.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -515.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.61 | kJ/mol | Joback Calculated Property |
| log10WS | -4.76 | Crippen Calculated Property | |
| logPoct/wat | 4.163 | Crippen Calculated Property | |
| McVol | 235.640 | ml/mol | McGowan Calculated Property |
| Pc | 1721.73 | kPa | Joback Calculated Property |
| Inp | [2195.00; 2195.00] |
|
|
| Inp | 2195.00 | NIST | |
| Inp | 2195.00 | NIST | |
| Tboil | 745.20 | K | Joback Calculated Property |
| Tc | 945.43 | K | Joback Calculated Property |
| Tfus | 429.86 | K | Joback Calculated Property |
| Vc | 0.909 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [676.68; 757.80] | J/mol×K | [745.20; 945.43] |
|
| Cp,gas | 676.68 | J/mol×K | 745.20 | Joback Calculated Property |
| Cp,gas | 692.59 | J/mol×K | 778.57 | Joback Calculated Property |
| Cp,gas | 707.50 | J/mol×K | 811.94 | Joback Calculated Property |
| Cp,gas | 721.44 | J/mol×K | 845.32 | Joback Calculated Property |
| Cp,gas | 734.46 | J/mol×K | 878.69 | Joback Calculated Property |
| Cp,gas | 746.56 | J/mol×K | 912.06 | Joback Calculated Property |
| Cp,gas | 757.80 | J/mol×K | 945.43 | Joback Calculated Property |
| η | [0.0001072; 0.0013307] | Pa×s | [429.86; 745.20] |
|
| η | 0.0013307 | Pa×s | 429.86 | Joback Calculated Property |
| η | 0.0006957 | Pa×s | 482.42 | Joback Calculated Property |
| η | 0.0004131 | Pa×s | 534.97 | Joback Calculated Property |
| η | 0.0002693 | Pa×s | 587.53 | Joback Calculated Property |
| η | 0.0001883 | Pa×s | 640.09 | Joback Calculated Property |
| η | 0.0001391 | Pa×s | 692.64 | Joback Calculated Property |
| η | 0.0001072 | Pa×s | 745.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Oxo-4-phenylbutyric acid, heptyl ester.
Sources
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