- 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 |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [341.67; 416.93] | J/mol×K | [541.16; 748.95] |
|
| Cp,gas | 341.67 | J/mol×K | 541.16 | Joback Calculated Property |
| Cp,gas | 356.17 | J/mol×K | 575.79 | Joback Calculated Property |
| Cp,gas | 369.87 | J/mol×K | 610.42 | Joback Calculated Property |
| Cp,gas | 382.78 | J/mol×K | 645.06 | Joback Calculated Property |
| Cp,gas | 394.91 | J/mol×K | 679.69 | Joback Calculated Property |
| Cp,gas | 406.29 | J/mol×K | 714.32 | Joback Calculated Property |
| Cp,gas | 416.93 | J/mol×K | 748.95 | Joback Calculated Property |
| η | [0.0001786; 0.0025265] | Pa×s | [295.00; 541.16] |
|
| η | 0.0025265 | Pa×s | 295.00 | Joback Calculated Property |
| η | 0.0012408 | Pa×s | 336.03 | Joback Calculated Property |
| η | 0.0007114 | Pa×s | 377.05 | Joback Calculated Property |
| η | 0.0004549 | Pa×s | 418.08 | Joback Calculated Property |
| η | 0.0003151 | Pa×s | 459.11 | Joback Calculated Property |
| η | 0.0002318 | Pa×s | 500.13 | Joback Calculated Property |
| η | 0.0001786 | Pa×s | 541.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylbenzoic acid, ethyl ester.
Sources
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