- InChI
- InChI=1S/C13H18O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H,14,15)
- InChI Key
- ZVSXKFNTWOIGJI-UHFFFAOYSA-N
- Formula
- C13H18O2
- SMILES
- O=C(O)CCCCCCc1ccccc1
- Molecular Weight1
- 206.28
- CAS
- 40228-90-8
- 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° | -94.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -339.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.23 | kJ/mol | Joback Calculated Property |
| log10WS | -3.47 | Crippen Calculated Property | |
| logPoct/wat | 3.264 | Crippen Calculated Property | |
| McVol | 177.710 | ml/mol | McGowan Calculated Property |
| Pc | 2470.00 | kPa | Critica... |
| Tboil | 669.57 | K | Joback Calculated Property |
| Tc | 862.71 | K | Joback Calculated Property |
| Tfus | 373.44 | K | Joback Calculated Property |
| Vc | 0.680 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [475.81; 544.09] | J/mol×K | [669.57; 862.71] | 
|
| Cp,gas | 475.81 | J/mol×K | 669.57 | Joback Calculated Property |
| Cp,gas | 488.99 | J/mol×K | 701.76 | Joback Calculated Property |
| Cp,gas | 501.40 | J/mol×K | 733.95 | Joback Calculated Property |
| Cp,gas | 513.08 | J/mol×K | 766.14 | Joback Calculated Property |
| Cp,gas | 524.07 | J/mol×K | 798.33 | Joback Calculated Property |
| Cp,gas | 534.39 | J/mol×K | 830.52 | Joback Calculated Property |
| Cp,gas | 544.09 | J/mol×K | 862.71 | Joback Calculated Property |
| η | [0.0000558; 0.0036643] | Pa×s | [373.44; 669.57] |
|
| η | 0.0036643 | Pa×s | 373.44 | Joback Calculated Property |
| η | 0.0012141 | Pa×s | 422.79 | Joback Calculated Property |
| η | 0.0005068 | Pa×s | 472.15 | Joback Calculated Property |
| η | 0.0002496 | Pa×s | 521.50 | Joback Calculated Property |
| η | 0.0001389 | Pa×s | 570.86 | Joback Calculated Property |
| η | 0.0000849 | Pa×s | 620.21 | Joback Calculated Property |
| η | 0.0000558 | Pa×s | 669.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7-Phenylheptanoic acid.
Sources
- Crippen Method
- Crippen Method
- Critical-Point Measurements for Phenylethanoic to 7-Phenylheptanoic Acids
- Joback Method
- McGowan Method
- NIST Webbook
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