- InChI
- InChI=1S/C18H26O3/c1-2-3-4-5-6-10-15-21-18(20)14-13-17(19)16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13-15H2,1H3
- InChI Key
- IZNTVVKVZSOEJM-UHFFFAOYSA-N
- Formula
- C18H26O3
- SMILES
- CCCCCCCCOC(=O)CCC(=O)c1ccccc1
- Molecular Weight1
- 290.40
- 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° | -149.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -535.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.84 | kJ/mol | Joback Calculated Property |
| log10WS | -5.18 | Crippen Calculated Property | |
| logPoct/wat | 4.553 | Crippen Calculated Property | |
| McVol | 249.730 | ml/mol | McGowan Calculated Property |
| Pc | 1592.35 | kPa | Joback Calculated Property |
| Inp | [2297.00; 2297.00] |
|
|
| Inp | 2297.00 | NIST | |
| Inp | 2297.00 | NIST | |
| Tboil | 768.08 | K | Joback Calculated Property |
| Tc | 967.06 | K | Joback Calculated Property |
| Tfus | 441.13 | K | Joback Calculated Property |
| Vc | 0.966 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [733.06; 815.48] | J/mol×K | [768.08; 967.06] |
|
| Cp,gas | 733.06 | J/mol×K | 768.08 | Joback Calculated Property |
| Cp,gas | 749.23 | J/mol×K | 801.24 | Joback Calculated Property |
| Cp,gas | 764.39 | J/mol×K | 834.41 | Joback Calculated Property |
| Cp,gas | 778.56 | J/mol×K | 867.57 | Joback Calculated Property |
| Cp,gas | 791.77 | J/mol×K | 900.73 | Joback Calculated Property |
| Cp,gas | 804.07 | J/mol×K | 933.89 | Joback Calculated Property |
| Cp,gas | 815.48 | J/mol×K | 967.06 | Joback Calculated Property |
| η | [0.0000942; 0.0012185] | Pa×s | [441.13; 768.08] |
|
| η | 0.0012185 | Pa×s | 441.13 | Joback Calculated Property |
| η | 0.0006290 | Pa×s | 495.62 | Joback Calculated Property |
| η | 0.0003701 | Pa×s | 550.11 | Joback Calculated Property |
| η | 0.0002396 | Pa×s | 604.61 | Joback Calculated Property |
| η | 0.0001667 | Pa×s | 659.10 | Joback Calculated Property |
| η | 0.0001226 | Pa×s | 713.59 | Joback Calculated Property |
| η | 0.0000942 | Pa×s | 768.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Oxo-4-phenylbutyric acid, octyl ester.
Sources
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