- InChI
- InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-14-19-25-22(24)18-17-21(23)20-15-12-11-13-16-20/h11-13,15-16H,2-10,14,17-19H2,1H3
- InChI Key
- WKJVPKOOWRIVEY-UHFFFAOYSA-N
- Formula
- C22H34O3
- SMILES
-
CCCCCCCCCCCCOC(=O)CCC(=O)c1ccc
cc1 - Molecular Weight1
- 346.50
- 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° | -116.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -618.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.74 | kJ/mol | Joback Calculated Property |
| log10WS | -6.85 | Crippen Calculated Property | |
| logPoct/wat | 6.114 | Crippen Calculated Property | |
| McVol | 306.090 | ml/mol | McGowan Calculated Property |
| Pc | 1197.30 | kPa | Joback Calculated Property |
| Inp | [2718.00; 2718.00] |
|
|
| Inp | 2718.00 | NIST | |
| Inp | 2718.00 | NIST | |
| Tboil | 859.60 | K | Joback Calculated Property |
| Tc | 1059.61 | K | Joback Calculated Property |
| Tfus | 486.21 | K | Joback Calculated Property |
| Vc | 1.190 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [967.70; 1054.27] | J/mol×K | [859.60; 1059.61] |
|
| Cp,gas | 967.70 | J/mol×K | 859.60 | Joback Calculated Property |
| Cp,gas | 984.82 | J/mol×K | 892.94 | Joback Calculated Property |
| Cp,gas | 1000.80 | J/mol×K | 926.27 | Joback Calculated Property |
| Cp,gas | 1015.70 | J/mol×K | 959.61 | Joback Calculated Property |
| Cp,gas | 1029.54 | J/mol×K | 992.94 | Joback Calculated Property |
| Cp,gas | 1042.39 | J/mol×K | 1026.28 | Joback Calculated Property |
| Cp,gas | 1054.27 | J/mol×K | 1059.61 | Joback Calculated Property |
| η | [0.0000544; 0.0008148] | Pa×s | [486.21; 859.60] |
|
| η | 0.0008148 | Pa×s | 486.21 | Joback Calculated Property |
| η | 0.0004018 | Pa×s | 548.44 | Joback Calculated Property |
| η | 0.0002288 | Pa×s | 610.67 | Joback Calculated Property |
| η | 0.0001446 | Pa×s | 672.90 | Joback Calculated Property |
| η | 0.0000988 | Pa×s | 735.14 | Joback Calculated Property |
| η | 0.0000716 | Pa×s | 797.37 | Joback Calculated Property |
| η | 0.0000544 | Pa×s | 859.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Oxo-4-phenylbutyric acid, dodecyl ester.
Sources
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