- InChI
- InChI=1S/C14H18O3/c15-13(12-8-4-3-5-9-12)10-6-1-2-7-11-14(16)17/h3-5,8-9H,1-2,6-7,10-11H2,(H,16,17)
- InChI Key
- UMCSRRHQLAVYRS-UHFFFAOYSA-N
- Formula
- C14H18O3
- SMILES
- O=C(O)CCCCCCC(=O)c1ccccc1
- Molecular Weight1
- 234.29
- CAS
- 66147-75-9
- 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 | 0.9097 | Relay (1.0) Calculated Property | |
| ΔfG° | -293.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -556.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.294 | Crippen Calculated Property | |
| McVol | 193.370 | ml/mol | McGowan Calculated Property |
| Pc | 2313.61 | kPa | Joback Calculated Property |
| Tboil | 609.80 | K | Relay (1.0) Calculated Property |
| Tc | 845.34 | K | Relay (1.0) Calculated Property |
| Tfus | 364.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.713 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [546.39; 612.92] | J/mol×K | [745.98; 958.70] | 
|
| Cp,gas | 546.39 | J/mol×K | 745.98 | Joback Calculated Property |
| Cp,gas | 559.53 | J/mol×K | 781.43 | Joback Calculated Property |
| Cp,gas | 571.77 | J/mol×K | 816.89 | Joback Calculated Property |
| Cp,gas | 583.18 | J/mol×K | 852.34 | Joback Calculated Property |
| Cp,gas | 593.81 | J/mol×K | 887.79 | Joback Calculated Property |
| Cp,gas | 603.70 | J/mol×K | 923.25 | Joback Calculated Property |
| Cp,gas | 612.92 | J/mol×K | 958.70 | Joback Calculated Property |
| η | [0.0001396; 0.0009687] | Pa×s | [484.49; 745.98] |
|
| η | 0.0009687 | Pa×s | 484.49 | Joback Calculated Property |
| η | 0.0006140 | Pa×s | 528.07 | Joback Calculated Property |
| η | 0.0004171 | Pa×s | 571.65 | Joback Calculated Property |
| η | 0.0002994 | Pa×s | 615.24 | Joback Calculated Property |
| η | 0.0002245 | Pa×s | 658.82 | Joback Calculated Property |
| η | 0.0001745 | Pa×s | 702.40 | Joback Calculated Property |
| η | 0.0001396 | Pa×s | 745.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7-Benzoylheptanoic acid.
Sources
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