- InChI
- InChI=1S/C15H20O3/c16-14(13-9-5-4-6-10-13)11-7-2-1-3-8-12-15(17)18/h4-6,9-10H,1-3,7-8,11-12H2,(H,17,18)
- InChI Key
- BFUPULAAJVYXRI-UHFFFAOYSA-N
- Formula
- C15H20O3
- SMILES
- O=C(O)CCCCCCCC(=O)c1ccccc1
- Molecular Weight1
- 248.32
- CAS
- 16269-05-9
- 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 | 0.9460 | Relay (1.0) Calculated Property | |
| ΔfG° | -285.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -579.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.685 | Crippen Calculated Property | |
| McVol | 207.460 | ml/mol | McGowan Calculated Property |
| Pc | 2113.89 | kPa | Joback Calculated Property |
| Tboil | 616.78 | K | Relay (1.0) Calculated Property |
| Tc | 853.32 | K | Relay (1.0) Calculated Property |
| Tfus | 363.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.768 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.98; 674.47] | 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 | -3.26930e+01 | |||
| Coefficient B | 1.37270e+00 | |||
| Coefficient C | -8.77300e-04 | |||
| Coefficient D | 2.11760e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 280.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 352.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 415.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 470.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 518.70 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 560.19 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 595.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 626.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 652.31 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 674.47 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008973; 0.0001910] | Pa×s | [495.76; 685.44] |
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 | -1.26063e+01 | |||
| Coefficient B | 2.77139e+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. | 495.76 | |||
| Temperature range, max. | 685.44 | |||
| η | 0.0008973 | Pa×s | 495.76 | Calculated Property |
| η | 0.0007144 | Pa×s | 516.84 | Calculated Property |
| η | 0.0005790 | Pa×s | 537.91 | Calculated Property |
| η | 0.0004768 | Pa×s | 558.99 | Calculated Property |
| η | 0.0003982 | Pa×s | 580.06 | Calculated Property |
| η | 0.0003368 | Pa×s | 601.14 | Calculated Property |
| η | 0.0002881 | Pa×s | 622.21 | Calculated Property |
| η | 0.0002490 | Pa×s | 643.29 | Calculated Property |
| η | 0.0002172 | Pa×s | 664.36 | Calculated Property |
| η | 0.0001910 | Pa×s | 685.44 | Calculated Property |
Similar Compounds
Find more compounds similar to 8-Benzoyloctanoic acid.
Sources
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