- InChI
- InChI=1S/C19H28O3/c1-2-3-4-5-6-7-11-16-22-19(21)15-14-18(20)17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3
- InChI Key
- OKAOJWPEEOGYIJ-UHFFFAOYSA-N
- Formula
- C19H28O3
- SMILES
- CCCCCCCCCOC(=O)CCC(=O)c1ccccc1
- Molecular Weight1
- 304.42
- 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° | -141.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -556.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.07 | kJ/mol | Joback Calculated Property |
| log10WS | -5.60 | Crippen Calculated Property | |
| logPoct/wat | 4.943 | Crippen Calculated Property | |
| McVol | 263.820 | ml/mol | McGowan Calculated Property |
| Pc | 1477.02 | kPa | Joback Calculated Property |
| Inp | 2403.00 | NIST | |
| Tboil | 790.96 | K | Joback Calculated Property |
| Tc | 989.24 | K | Joback Calculated Property |
| Tfus | 452.40 | K | Joback Calculated Property |
| Vc | 1.022 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [790.41; 873.99] | J/mol×K | [790.96; 989.24] | 
|
| Cp,gas | 790.41 | J/mol×K | 790.96 | Joback Calculated Property |
| Cp,gas | 806.84 | J/mol×K | 824.01 | Joback Calculated Property |
| Cp,gas | 822.21 | J/mol×K | 857.05 | Joback Calculated Property |
| Cp,gas | 836.58 | J/mol×K | 890.10 | Joback Calculated Property |
| Cp,gas | 849.98 | J/mol×K | 923.14 | Joback Calculated Property |
| Cp,gas | 862.43 | J/mol×K | 956.19 | Joback Calculated Property |
| Cp,gas | 873.99 | J/mol×K | 989.24 | Joback Calculated Property |
| η | [0.0000825; 0.0011097] | Pa×s | [452.40; 790.96] |
|
| η | 0.0011097 | Pa×s | 452.40 | Joback Calculated Property |
| η | 0.0005659 | Pa×s | 508.83 | Joback Calculated Property |
| η | 0.0003301 | Pa×s | 565.25 | Joback Calculated Property |
| η | 0.0002123 | Pa×s | 621.68 | Joback Calculated Property |
| η | 0.0001470 | Pa×s | 678.11 | Joback Calculated Property |
| η | 0.0001077 | Pa×s | 734.53 | Joback Calculated Property |
| η | 0.0000825 | Pa×s | 790.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Oxo-4-phenylbutyric acid, nonyl ester.
Sources
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