- InChI
- InChI=1S/C15H22O2/c1-5-6-11-17-14(16)12-7-9-13(10-8-12)15(2,3)4/h7-10H,5-6,11H2,1-4H3
- InChI Key
- BMSNGGLCKZGIEY-UHFFFAOYSA-N
- Formula
- C15H22O2
- SMILES
- CCCCOC(=O)c1ccc(C(C)(C)C)cc1
- Molecular Weight1
- 234.33
- Other Names
-
- Butyl 4-tert-butylbenzoate
- 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° | -52.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -381.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.78 | kJ/mol | Joback Calculated Property |
| log10WS | -4.28 | Crippen Calculated Property | |
| logPoct/wat | 3.941 | Crippen Calculated Property | |
| McVol | 205.890 | ml/mol | McGowan Calculated Property |
| Pc | 1928.74 | kPa | Joback Calculated Property |
| Inp | [1689.00; 1748.00] |
|
|
| Inp | 1689.00 | NIST | |
| Inp | 1748.00 | NIST | |
| Tboil | 647.32 | K | Joback Calculated Property |
| Tc | 856.19 | K | Joback Calculated Property |
| Tfus | 372.33 | K | Joback Calculated Property |
| Vc | 0.780 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [548.94; 637.67] | J/mol×K | [647.32; 856.19] |
|
| Cp,gas | 548.94 | J/mol×K | 647.32 | Joback Calculated Property |
| Cp,gas | 566.24 | J/mol×K | 682.13 | Joback Calculated Property |
| Cp,gas | 582.47 | J/mol×K | 716.94 | Joback Calculated Property |
| Cp,gas | 597.69 | J/mol×K | 751.76 | Joback Calculated Property |
| Cp,gas | 611.93 | J/mol×K | 786.57 | Joback Calculated Property |
| Cp,gas | 625.24 | J/mol×K | 821.38 | Joback Calculated Property |
| Cp,gas | 637.67 | J/mol×K | 856.19 | Joback Calculated Property |
| η | [0.0001166; 0.0016339] | Pa×s | [372.33; 647.32] |
|
| η | 0.0016339 | Pa×s | 372.33 | Joback Calculated Property |
| η | 0.0008268 | Pa×s | 418.16 | Joback Calculated Property |
| η | 0.0004787 | Pa×s | 463.99 | Joback Calculated Property |
| η | 0.0003057 | Pa×s | 509.82 | Joback Calculated Property |
| η | 0.0002103 | Pa×s | 555.66 | Joback Calculated Property |
| η | 0.0001531 | Pa×s | 601.49 | Joback Calculated Property |
| η | 0.0001166 | Pa×s | 647.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-tert-butyl-, butyl ester.
Sources
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