- InChI
- InChI=1S/C19H30O2/c1-3-5-7-8-9-10-16-21-19(20)18-14-12-17(13-15-18)11-6-4-2/h12-15H,3-11,16H2,1-2H3
- InChI Key
- WOHCEFXPFWWXKJ-UHFFFAOYSA-N
- Formula
- C19H30O2
- SMILES
- CCCCCCCCOC(=O)c1ccc(CCCC)cc1
- Molecular Weight1
- 290.45
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.8996 | Relay (1.0) Calculated Property | |
| ΔfG° | -98.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -521.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.546 | Crippen Calculated Property | |
| McVol | 262.250 | ml/mol | McGowan Calculated Property |
| Pc | 1350.65 | kPa | Joback Calculated Property |
| Inp | [2220.00; 2220.00] |
|
|
| Inp | 2220.00 | NIST | |
| Inp | 2220.00 | NIST | |
| Tboil | 620.09 | K | Relay (1.0) Calculated Property |
| Tc | 812.66 | K | Relay (1.0) Calculated Property |
| Tfus | 261.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.998 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [370.17; 886.10] | 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 | -8.58000e+00 | |||
| Coefficient B | 1.61564e+00 | |||
| Coefficient C | -8.79360e-04 | |||
| Coefficient D | 1.58400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 370.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 459.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 540.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 612.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 675.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 731.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 779.63 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 821.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 856.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 886.10 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015153; 0.0001180] | Pa×s | [385.16; 639.65] |
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 | -1.29086e+01 | |||
| Coefficient B | 2.47136e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 385.16 | |||
| Temperature range, max. | 639.65 | |||
| η | 0.0015153 | Pa×s | 385.16 | Calculated Property |
| η | 0.0009771 | Pa×s | 413.44 | Calculated Property |
| η | 0.0006664 | Pa×s | 441.71 | Calculated Property |
| η | 0.0004759 | Pa×s | 469.99 | Calculated Property |
| η | 0.0003531 | Pa×s | 498.26 | Calculated Property |
| η | 0.0002706 | Pa×s | 526.54 | Calculated Property |
| η | 0.0002130 | Pa×s | 554.82 | Calculated Property |
| η | 0.0001716 | Pa×s | 583.09 | Calculated Property |
| η | 0.0001411 | Pa×s | 611.37 | Calculated Property |
| η | 0.0001180 | Pa×s | 639.65 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, octyl ester.
Sources
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