- InChI
- InChI=1S/C14H20O2/c15-14(16)12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,1-3,5,8-9,12H2,(H,15,16)
- InChI Key
- VZECIAZMSHBQOC-UHFFFAOYSA-N
- Formula
- C14H20O2
- SMILES
- O=C(O)CCCCCCCc1ccccc1
- Molecular Weight1
- 220.31
- 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 | 0.8785 | Relay (1.0) Calculated Property | |
| ΔfG° | -164.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -438.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.654 | Crippen Calculated Property | |
| McVol | 191.800 | ml/mol | McGowan Calculated Property |
| Pc | 2179.52 | kPa | Joback Calculated Property |
| Tboil | 605.25 | K | Relay (1.0) Calculated Property |
| Tc | 821.80 | K | Relay (1.0) Calculated Property |
| Tfus | 301.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.717 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.84; 633.86] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.91430e+01 | |||
| Coefficient B | 1.30570e+00 | |||
| Coefficient C | -8.41600e-04 | |||
| Coefficient D | 2.08900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 258.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 326.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 386.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 438.81 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 484.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 523.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 557.87 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 587.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 612.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 633.86 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0135221; 0.0002012] | Pa×s | [301.15; 629.00] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.23760e+01 | |||
| Coefficient B | 2.43104e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 301.15 | |||
| Temperature range, max. | 629.00 | |||
| η | 0.0135221 | Pa×s | 301.15 | Calculated Property |
| η | 0.0056589 | Pa×s | 337.58 | Calculated Property |
| η | 0.0028062 | Pa×s | 374.01 | Calculated Property |
| η | 0.0015760 | Pa×s | 410.43 | Calculated Property |
| η | 0.0009725 | Pa×s | 446.86 | Calculated Property |
| η | 0.0006453 | Pa×s | 483.29 | Calculated Property |
| η | 0.0004536 | Pa×s | 519.72 | Calculated Property |
| η | 0.0003339 | Pa×s | 556.14 | Calculated Property |
| η | 0.0002552 | Pa×s | 592.57 | Calculated Property |
| η | 0.0002012 | Pa×s | 629.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 8-Phenyloctanoic acid.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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