- InChI
- InChI=1S/C13H18O2/c1-5-15-12(14)10-6-8-11(9-7-10)13(2,3)4/h6-9H,5H2,1-4H3
- InChI Key
- LIQWHXBLFOERRD-UHFFFAOYSA-N
- Formula
- C13H18O2
- SMILES
- CCOC(=O)c1ccc(C(C)(C)C)cc1
- Molecular Weight1
- 206.28
- CAS
- 5406-57-5
- Other Names
-
- Ethyl 4-tert-butylbenzoate
- Benzoic acid, 4-(1,1-dimethylethyl)-, ethyl ester
- ethyl 4-(1,1-dimethylethyl)benzoate
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -69.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -340.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.33 | kJ/mol | Joback Calculated Property |
| log10WS | -3.45 | Crippen Calculated Property | |
| logPoct/wat | 3.161 | Crippen Calculated Property | |
| McVol | 177.710 | ml/mol | McGowan Calculated Property |
| Pc | 2300.32 | kPa | Joback Calculated Property |
| Inp | [1486.00; 1486.00] |
|
|
| Inp | 1486.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Tboil | 601.56 | K | Joback Calculated Property |
| Tc | 817.36 | K | Joback Calculated Property |
| Tfus | 349.79 | K | Joback Calculated Property |
| Vc | 0.668 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [446.22; 529.96] | J/mol×K | [601.56; 817.36] |
|
| Cp,gas | 446.22 | J/mol×K | 601.56 | Joback Calculated Property |
| Cp,gas | 462.62 | J/mol×K | 637.53 | Joback Calculated Property |
| Cp,gas | 477.98 | J/mol×K | 673.49 | Joback Calculated Property |
| Cp,gas | 492.35 | J/mol×K | 709.46 | Joback Calculated Property |
| Cp,gas | 505.78 | J/mol×K | 745.43 | Joback Calculated Property |
| Cp,gas | 518.30 | J/mol×K | 781.39 | Joback Calculated Property |
| Cp,gas | 529.96 | J/mol×K | 817.36 | Joback Calculated Property |
| η | [0.0001467; 0.0018655] | Pa×s | [349.79; 601.56] |
|
| η | 0.0018655 | Pa×s | 349.79 | Joback Calculated Property |
| η | 0.0009730 | Pa×s | 391.75 | Joback Calculated Property |
| η | 0.0005756 | Pa×s | 433.71 | Joback Calculated Property |
| η | 0.0003736 | Pa×s | 475.67 | Joback Calculated Property |
| η | 0.0002601 | Pa×s | 517.64 | Joback Calculated Property |
| η | 0.0001911 | Pa×s | 559.60 | Joback Calculated Property |
| η | 0.0001467 | Pa×s | 601.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 4-t-butylbenzoate.
Sources
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