- 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° | -206.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -579.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.55 | 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 | 2248.26 | kPa | Joback Calculated Property |
| Tboil | 616.78 | K | Relay (1.0) Calculated Property |
| Tc | 849.14 | K | Relay (1.0) Calculated Property |
| Tfus | 369.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.760 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [597.72; 662.75] | J/mol×K | [769.20; 966.53] | 
|
| Cp,gas | 597.72 | J/mol×K | 769.20 | Joback Calculated Property |
| Cp,gas | 610.44 | J/mol×K | 802.09 | Joback Calculated Property |
| Cp,gas | 622.35 | J/mol×K | 834.98 | Joback Calculated Property |
| Cp,gas | 633.51 | J/mol×K | 867.86 | Joback Calculated Property |
| Cp,gas | 643.93 | J/mol×K | 900.75 | Joback Calculated Property |
| Cp,gas | 653.66 | J/mol×K | 933.64 | Joback Calculated Property |
| Cp,gas | 662.75 | J/mol×K | 966.53 | Joback Calculated Property |
| η | [0.0000344; 0.0014501] | Pa×s | [445.91; 769.20] |
|
| η | 0.0014501 | Pa×s | 445.91 | Joback Calculated Property |
| η | 0.0005556 | Pa×s | 499.79 | Joback Calculated Property |
| η | 0.0002566 | Pa×s | 553.67 | Joback Calculated Property |
| η | 0.0001359 | Pa×s | 607.55 | Joback Calculated Property |
| η | 0.0000798 | Pa×s | 661.44 | Joback Calculated Property |
| η | 0.0000508 | Pa×s | 715.32 | Joback Calculated Property |
| η | 0.0000344 | Pa×s | 769.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 8-Benzoyloctanoic acid.
Sources
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