- InChI
- InChI=1S/C11H14O3/c1-3-13-10-7-5-9(6-8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H3
- InChI Key
- HRAQMGWTPNOILP-UHFFFAOYSA-N
- Formula
- C11H14O3
- SMILES
- CCOC(=O)c1ccc(OCC)cc1
- Molecular Weight1
- 194.23
- CAS
- 23676-09-7
- Other Names
-
- Benzoic acid, p-ethoxy-, ethyl ester
- Ethyl 4-ethoxybenzoate
- Ethyl para-ethoxybenzoate
- Ethyl p-ethoxybenzoate
- Benzoic acid, 4-ethyloxy-, ethyl ester
- 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).
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔfG° | -194.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -422.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.58 | kJ/mol | Joback Calculated Property |
| log10WS | -2.67 | Crippen Calculated Property | |
| logPoct/wat | 2.262 | Crippen Calculated Property | |
| McVol | 155.400 | ml/mol | McGowan Calculated Property |
| Pc | 2687.42 | kPa | Joback Calculated Property |
| Inp | [1521.00; 1537.00] |
|
|
| Inp | 1537.00 | NIST | |
| Inp | 1522.00 | NIST | |
| Inp | 1521.00 | NIST | |
| Inp | 1522.00 | NIST | |
| Inp | 1535.00 | NIST | |
| Inp | 1521.00 | NIST | |
| Inp | 1522.00 | NIST | |
| Inp | 1537.00 | NIST | |
| I | [2593.00; 2593.00] |
|
|
| I | 2593.00 | NIST | |
| I | 2593.00 | NIST | |
| Tboil | 548.20 | K | NIST |
| Tc | 789.55 | K | Joback Calculated Property |
| Tfus | 347.06 | K | Joback Calculated Property |
| Vc | 0.586 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [370.80; 443.58] | J/mol×K | [581.45; 789.55] |
|
| Cp,gas | 370.80 | J/mol×K | 581.45 | Joback Calculated Property |
| Cp,gas | 384.70 | J/mol×K | 616.13 | Joback Calculated Property |
| Cp,gas | 397.90 | J/mol×K | 650.82 | Joback Calculated Property |
| Cp,gas | 410.38 | J/mol×K | 685.50 | Joback Calculated Property |
| Cp,gas | 422.16 | J/mol×K | 720.18 | Joback Calculated Property |
| Cp,gas | 433.22 | J/mol×K | 754.87 | Joback Calculated Property |
| Cp,gas | 443.58 | J/mol×K | 789.55 | Joback Calculated Property |
| η | [0.0001589; 0.0013141] | Pa×s | [347.06; 581.45] |
|
| η | 0.0013141 | Pa×s | 347.06 | Joback Calculated Property |
| η | 0.0007734 | Pa×s | 386.12 | Joback Calculated Property |
| η | 0.0005017 | Pa×s | 425.19 | Joback Calculated Property |
| η | 0.0003501 | Pa×s | 464.25 | Joback Calculated Property |
| η | 0.0002583 | Pa×s | 503.32 | Joback Calculated Property |
| η | 0.0001991 | Pa×s | 542.38 | Joback Calculated Property |
| η | 0.0001589 | Pa×s | 581.45 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 420.70 | K | 1.70 | NIST |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-ethoxy-, ethyl ester.
Sources
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