- InChI
- InChI=1S/C13H16O3/c14-12(11-7-3-1-4-8-11)9-5-2-6-10-13(15)16/h1,3-4,7-8H,2,5-6,9-10H2,(H,15,16)
- InChI Key
- DOQWHEUDAHLEPT-UHFFFAOYSA-N
- Formula
- C13H16O3
- SMILES
- O=C(O)CCCCCC(=O)c1ccccc1
- Molecular Weight1
- 220.26
- CAS
- 7472-43-7
- Other Names
-
- Benzeneheptanoic acid, «zeta»-oxo-
- 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 | 0.8717 | Relay (1.0) Calculated Property | |
| ΔfG° | -301.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -534.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.904 | Crippen Calculated Property | |
| McVol | 179.280 | ml/mol | McGowan Calculated Property |
| Pc | 2543.05 | kPa | Joback Calculated Property |
| Tboil | 602.88 | K | Relay (1.0) Calculated Property |
| Tc | 836.91 | K | Relay (1.0) Calculated Property |
| Tfus | 365.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.657 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [493.57; 557.62] | J/mol×K | [723.10; 938.70] | 
|
| Cp,gas | 493.57 | J/mol×K | 723.10 | Joback Calculated Property |
| Cp,gas | 506.27 | J/mol×K | 759.03 | Joback Calculated Property |
| Cp,gas | 518.09 | J/mol×K | 794.97 | Joback Calculated Property |
| Cp,gas | 529.08 | J/mol×K | 830.90 | Joback Calculated Property |
| Cp,gas | 539.30 | J/mol×K | 866.83 | Joback Calculated Property |
| Cp,gas | 548.80 | J/mol×K | 902.76 | Joback Calculated Property |
| Cp,gas | 557.62 | J/mol×K | 938.70 | Joback Calculated Property |
| η | [0.0001575; 0.0010388] | Pa×s | [473.22; 723.10] |
|
| η | 0.0010388 | Pa×s | 473.22 | Joback Calculated Property |
| η | 0.0006680 | Pa×s | 514.87 | Joback Calculated Property |
| η | 0.0004589 | Pa×s | 556.51 | Joback Calculated Property |
| η | 0.0003322 | Pa×s | 598.16 | Joback Calculated Property |
| η | 0.0002508 | Pa×s | 639.81 | Joback Calculated Property |
| η | 0.0001960 | Pa×s | 681.45 | Joback Calculated Property |
| η | 0.0001575 | Pa×s | 723.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Benzoylhexanoic acid.
Sources
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