- InChI
- InChI=1S/C14H20O2/c1-5-10-16-13(15)11-6-8-12(9-7-11)14(2,3)4/h6-9H,5,10H2,1-4H3
- InChI Key
- IFFIRJMHMXRNHD-UHFFFAOYSA-N
- Formula
- C14H20O2
- SMILES
- CCCOC(=O)c1ccc(C(C)(C)C)cc1
- Molecular Weight1
- 220.31
- 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° | -61.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -360.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.56 | kJ/mol | Joback Calculated Property |
| log10WS | -3.86 | Crippen Calculated Property | |
| logPoct/wat | 3.551 | Crippen Calculated Property | |
| McVol | 191.800 | ml/mol | McGowan Calculated Property |
| Pc | 2102.27 | kPa | Joback Calculated Property |
| Inp | [1641.00; 1641.00] |
|
|
| Inp | 1641.00 | NIST | |
| Inp | 1641.00 | NIST | |
| Tboil | 624.44 | K | Joback Calculated Property |
| Tc | 836.64 | K | Joback Calculated Property |
| Tfus | 361.06 | K | Joback Calculated Property |
| Vc | 0.725 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [496.87; 583.33] | J/mol×K | [624.44; 836.64] |
|
| Cp,gas | 496.87 | J/mol×K | 624.44 | Joback Calculated Property |
| Cp,gas | 513.76 | J/mol×K | 659.81 | Joback Calculated Property |
| Cp,gas | 529.60 | J/mol×K | 695.17 | Joback Calculated Property |
| Cp,gas | 544.43 | J/mol×K | 730.54 | Joback Calculated Property |
| Cp,gas | 558.30 | J/mol×K | 765.90 | Joback Calculated Property |
| Cp,gas | 571.26 | J/mol×K | 801.27 | Joback Calculated Property |
| Cp,gas | 583.33 | J/mol×K | 836.64 | Joback Calculated Property |
| η | [0.0001311; 0.0017532] | Pa×s | [361.06; 624.44] |
|
| η | 0.0017532 | Pa×s | 361.06 | Joback Calculated Property |
| η | 0.0009004 | Pa×s | 404.96 | Joback Calculated Property |
| η | 0.0005268 | Pa×s | 448.85 | Joback Calculated Property |
| η | 0.0003391 | Pa×s | 492.75 | Joback Calculated Property |
| η | 0.0002346 | Pa×s | 536.65 | Joback Calculated Property |
| η | 0.0001716 | Pa×s | 580.54 | Joback Calculated Property |
| η | 0.0001311 | Pa×s | 624.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-tert-butyl-, propyl ester.
Sources
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