- InChI
- InChI=1S/C15H20O3/c16-14(13-9-5-4-6-10-13)11-7-2-1-3-8-12-15(17)18/h4-6,9-10H,1-3,7-8,11-12H2,(H,17,18)
- InChI Key
- BFUPULAAJVYXRI-UHFFFAOYSA-N
- Formula
- C15H20O3
- SMILES
- O=C(O)CCCCCCCC(=O)c1ccccc1
- Molecular Weight1
- 248.32
- CAS
- 16269-05-9
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.9460 | Relay (1.0) Calculated Property | |
| ΔfG° | -285.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -579.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.685 | Crippen Calculated Property | |
| McVol | 207.460 | ml/mol | McGowan Calculated Property |
| Pc | 2113.89 | kPa | Joback Calculated Property |
| Tboil | 616.78 | K | Relay (1.0) Calculated Property |
| Tc | 853.32 | K | Relay (1.0) Calculated Property |
| Tfus | 363.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.768 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [600.36; 669.09] | J/mol×K | [768.86; 979.20] | 
|
| Cp,gas | 600.36 | J/mol×K | 768.86 | Joback Calculated Property |
| Cp,gas | 613.88 | J/mol×K | 803.92 | Joback Calculated Property |
| Cp,gas | 626.51 | J/mol×K | 838.97 | Joback Calculated Property |
| Cp,gas | 638.28 | J/mol×K | 874.03 | Joback Calculated Property |
| Cp,gas | 649.27 | J/mol×K | 909.09 | Joback Calculated Property |
| Cp,gas | 659.52 | J/mol×K | 944.14 | Joback Calculated Property |
| Cp,gas | 669.09 | J/mol×K | 979.20 | Joback Calculated Property |
| η | [0.0001232; 0.0008973] | Pa×s | [495.76; 768.86] |
|
| η | 0.0008973 | Pa×s | 495.76 | Joback Calculated Property |
| η | 0.0005608 | Pa×s | 541.28 | Joback Calculated Property |
| η | 0.0003770 | Pa×s | 586.79 | Joback Calculated Property |
| η | 0.0002683 | Pa×s | 632.31 | Joback Calculated Property |
| η | 0.0001999 | Pa×s | 677.83 | Joback Calculated Property |
| η | 0.0001546 | Pa×s | 723.34 | Joback Calculated Property |
| η | 0.0001232 | Pa×s | 768.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 8-Benzoyloctanoic acid.
Sources
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