- InChI
- InChI=1S/C18H20O2/c1-3-14(4-2)18(19)20-17-12-10-16(11-13-17)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3
- InChI Key
- DWGWCKVJEJESPY-UHFFFAOYSA-N
- Formula
- C18H20O2
- SMILES
-
CCC(CC)C(=O)Oc1ccc(-c2ccccc2)c
c1 - Molecular Weight1
- 268.35
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -275.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.695 | Crippen Calculated Property | |
| McVol | 224.400 | ml/mol | McGowan Calculated Property |
| Inp | [2183.00; 2183.00] |
|
|
| Inp | 2183.00 | NIST | |
| Inp | 2183.00 | NIST | |
| Tboil | 622.40 | K | Relay (1.0) Calculated Property |
| Tfus | 346.03 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [291.39; 716.52] | 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 | -4.32580e+01 | |||
| Coefficient B | 1.44764e+00 | |||
| Coefficient C | -8.59360e-04 | |||
| Coefficient D | 1.71500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 291.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 368.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 437.62 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 498.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 550.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 596.08 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 634.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 667.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 694.52 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 716.52 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015770; 0.0001066] | Pa×s | [385.31; 668.85] |
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 | -1.28067e+01 | |||
| Coefficient B | 2.44844e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 385.31 | |||
| Temperature range, max. | 668.85 | |||
| η | 0.0015770 | Pa×s | 385.31 | Calculated Property |
| η | 0.0009755 | Pa×s | 416.81 | Calculated Property |
| η | 0.0006456 | Pa×s | 448.32 | Calculated Property |
| η | 0.0004511 | Pa×s | 479.82 | Calculated Property |
| η | 0.0003294 | Pa×s | 511.33 | Calculated Property |
| η | 0.0002495 | Pa×s | 542.83 | Calculated Property |
| η | 0.0001948 | Pa×s | 574.34 | Calculated Property |
| η | 0.0001561 | Pa×s | 605.84 | Calculated Property |
| η | 0.0001278 | Pa×s | 637.35 | Calculated Property |
| η | 0.0001066 | Pa×s | 668.85 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylbutyric acid, 4-biphenyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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