- InChI
- InChI=1S/C11H14O2/c1-3-9-5-7-10(8-6-9)11(12)13-4-2/h5-8H,3-4H2,1-2H3
- InChI Key
- ZPUKPAPWEWUPTC-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- CCOC(=O)c1ccc(CC)cc1
- Molecular Weight1
- 178.23
- CAS
- 36207-13-3
- 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).
- 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 | 0.5626 | Relay (1.0) Calculated Property | |
| ΔfG° | -165.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -360.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.426 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 2621.78 | kPa | Joback Calculated Property |
| Inp | [1393.00; 1393.00] |
|
|
| Inp | 1393.00 | NIST | |
| Inp | 1393.00 | NIST | |
| Tboil | 522.54 | K | Relay (1.0) Calculated Property |
| Tc | 714.34 | K | Relay (1.0) Calculated Property |
| Tfus | 235.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.559 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [200.46; 473.37] | 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 | -1.30800e+00 | |||
| Coefficient B | 8.55640e-01 | |||
| Coefficient C | -4.44160e-04 | |||
| Coefficient D | 6.32000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 200.46 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 248.61 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 291.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 330.33 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 364.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 393.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 419.50 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 441.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 459.00 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 473.37 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025265; 0.0001979] | Pa×s | [295.00; 524.27] |
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 | -1.18049e+01 | |||
| Coefficient B | 1.71808e+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. | 295.00 | |||
| Temperature range, max. | 524.27 | |||
| η | 0.0025265 | Pa×s | 295.00 | Calculated Property |
| η | 0.0015903 | Pa×s | 320.47 | Calculated Property |
| η | 0.0010716 | Pa×s | 345.95 | Calculated Property |
| η | 0.0007622 | Pa×s | 371.42 | Calculated Property |
| η | 0.0005664 | Pa×s | 396.90 | Calculated Property |
| η | 0.0004363 | Pa×s | 422.37 | Calculated Property |
| η | 0.0003462 | Pa×s | 447.84 | Calculated Property |
| η | 0.0002816 | Pa×s | 473.32 | Calculated Property |
| η | 0.0002339 | Pa×s | 498.79 | Calculated Property |
| η | 0.0001979 | Pa×s | 524.27 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylbenzoic acid, ethyl ester.
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