- 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
- CAS
- 26547-51-3
- 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° | -86.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -438.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.34 | 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 | 2320.31 | kPa | Joback Calculated Property |
| Tboil | 605.25 | K | Relay (1.0) Calculated Property |
| Tc | 818.27 | K | Relay (1.0) Calculated Property |
| Tfus | 334.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.709 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [528.00; 598.93] | J/mol×K | [692.45; 883.91] | 
|
| Cp,gas | 528.00 | J/mol×K | 692.45 | Joback Calculated Property |
| Cp,gas | 541.67 | J/mol×K | 724.36 | Joback Calculated Property |
| Cp,gas | 554.55 | J/mol×K | 756.27 | Joback Calculated Property |
| Cp,gas | 566.68 | J/mol×K | 788.18 | Joback Calculated Property |
| Cp,gas | 578.10 | J/mol×K | 820.09 | Joback Calculated Property |
| Cp,gas | 588.83 | J/mol×K | 852.00 | Joback Calculated Property |
| Cp,gas | 598.93 | J/mol×K | 883.91 | Joback Calculated Property |
| η | [0.0000470; 0.0031049] | Pa×s | [384.71; 692.45] |
|
| η | 0.0031049 | Pa×s | 384.71 | Joback Calculated Property |
| η | 0.0010239 | Pa×s | 436.00 | Joback Calculated Property |
| η | 0.0004265 | Pa×s | 487.29 | Joback Calculated Property |
| η | 0.0002099 | Pa×s | 538.58 | Joback Calculated Property |
| η | 0.0001168 | Pa×s | 589.87 | Joback Calculated Property |
| η | 0.0000714 | Pa×s | 641.16 | Joback Calculated Property |
| η | 0.0000470 | Pa×s | 692.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 8-Phenyloctanoic acid.
Sources
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