- 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-
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -223.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -452.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.98 | kJ/mol | Joback Calculated Property |
| log10WS | -3.32 | Crippen Calculated Property | |
| logPoct/wat | 2.904 | Crippen Calculated Property | |
| McVol | 179.280 | ml/mol | McGowan Calculated Property |
| Pc | 2721.17 | kPa | Joback Calculated Property |
| Tboil | 723.44 | K | Joback Calculated Property |
| Tc | 923.39 | K | Joback Calculated Property |
| Tfus | 423.37 | K | Joback Calculated Property |
| Vc | 0.686 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [490.90; 551.10] | J/mol×K | [723.44; 923.39] | 
|
| Cp,gas | 490.90 | J/mol×K | 723.44 | Joback Calculated Property |
| Cp,gas | 502.72 | J/mol×K | 756.76 | Joback Calculated Property |
| Cp,gas | 513.77 | J/mol×K | 790.09 | Joback Calculated Property |
| Cp,gas | 524.10 | J/mol×K | 823.41 | Joback Calculated Property |
| Cp,gas | 533.75 | J/mol×K | 856.74 | Joback Calculated Property |
| Cp,gas | 542.73 | J/mol×K | 890.06 | Joback Calculated Property |
| Cp,gas | 551.10 | J/mol×K | 923.39 | Joback Calculated Property |
| η | [0.0000486; 0.0019714] | Pa×s | [423.37; 723.44] |
|
| η | 0.0019714 | Pa×s | 423.37 | Joback Calculated Property |
| η | 0.0007676 | Pa×s | 473.38 | Joback Calculated Property |
| η | 0.0003579 | Pa×s | 523.39 | Joback Calculated Property |
| η | 0.0001906 | Pa×s | 573.40 | Joback Calculated Property |
| η | 0.0001123 | Pa×s | 623.42 | Joback Calculated Property |
| η | 0.0000716 | Pa×s | 673.43 | Joback Calculated Property |
| η | 0.0000486 | Pa×s | 723.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Benzoylhexanoic acid.
Sources
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