- 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° | -215.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -556.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.38 | 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 | 2467.81 | kPa | Joback Calculated Property |
| Tboil | 609.80 | K | Relay (1.0) Calculated Property |
| Tc | 841.45 | K | Relay (1.0) Calculated Property |
| Tfus | 370.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.705 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [543.73; 606.47] | J/mol×K | [746.32; 944.70] | 
|
| Cp,gas | 543.73 | J/mol×K | 746.32 | Joback Calculated Property |
| Cp,gas | 556.02 | J/mol×K | 779.38 | Joback Calculated Property |
| Cp,gas | 567.53 | J/mol×K | 812.45 | Joback Calculated Property |
| Cp,gas | 578.29 | J/mol×K | 845.51 | Joback Calculated Property |
| Cp,gas | 588.34 | J/mol×K | 878.57 | Joback Calculated Property |
| Cp,gas | 597.72 | J/mol×K | 911.64 | Joback Calculated Property |
| Cp,gas | 606.47 | J/mol×K | 944.70 | Joback Calculated Property |
| η | [0.0000409; 0.0016932] | Pa×s | [434.64; 746.32] |
|
| η | 0.0016932 | Pa×s | 434.64 | Joback Calculated Property |
| η | 0.0006538 | Pa×s | 486.59 | Joback Calculated Property |
| η | 0.0003033 | Pa×s | 538.53 | Joback Calculated Property |
| η | 0.0001611 | Pa×s | 590.48 | Joback Calculated Property |
| η | 0.0000948 | Pa×s | 642.43 | Joback Calculated Property |
| η | 0.0000604 | Pa×s | 694.37 | Joback Calculated Property |
| η | 0.0000409 | Pa×s | 746.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7-Benzoylheptanoic acid.
Sources
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