- 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
- 206.29
- 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 | 0.8414 | Relay (1.0) Calculated Property | |
| ΔfG° | -172.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -417.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.264 | Crippen Calculated Property | |
| McVol | 177.710 | ml/mol | McGowan Calculated Property |
| Pc | 2470.00 | kPa | Critical-Point Measurements for Phenylethanoic to 7-Phenylheptanoic Acids |
| Tboil | 597.79 | K | Relay (1.0) Calculated Property |
| Tc | 813.27 | K | Relay (1.0) Calculated Property |
| Tfus | 325.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.660 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [478.49; 551.42] | J/mol×K | [669.23; 878.57] | 
|
| Cp,gas | 478.49 | J/mol×K | 669.23 | Joback Calculated Property |
| Cp,gas | 492.73 | J/mol×K | 704.12 | Joback Calculated Property |
| Cp,gas | 506.08 | J/mol×K | 739.01 | Joback Calculated Property |
| Cp,gas | 518.57 | J/mol×K | 773.90 | Joback Calculated Property |
| Cp,gas | 530.25 | J/mol×K | 808.79 | Joback Calculated Property |
| Cp,gas | 541.19 | J/mol×K | 843.68 | Joback Calculated Property |
| Cp,gas | 551.42 | J/mol×K | 878.57 | Joback Calculated Property |
| η | [0.0001583; 0.0012041] | Pa×s | [423.29; 669.23] |
|
| η | 0.0012041 | Pa×s | 423.29 | Joback Calculated Property |
| η | 0.0007396 | Pa×s | 464.28 | Joback Calculated Property |
| η | 0.0004917 | Pa×s | 505.27 | Joback Calculated Property |
| η | 0.0003475 | Pa×s | 546.26 | Joback Calculated Property |
| η | 0.0002578 | Pa×s | 587.25 | Joback Calculated Property |
| η | 0.0001988 | Pa×s | 628.24 | Joback Calculated Property |
| η | 0.0001583 | Pa×s | 669.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7-Phenylheptanoic acid.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Critical-Point Measurements for Phenylethanoic to 7-Phenylheptanoic Acids
- Joback Method
- McGowan Method
- NIST Webbook
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