- InChI
- InChI=1S/C11H14O2/c1-11(2,3)13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3
- InChI Key
- LYDRKKWPKKEMNZ-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- CC(C)(C)OC(=O)c1ccccc1
- Molecular Weight1
- 178.23
- CAS
- 774-65-2
- Other Names
-
- tert-Butyl benzoate
- Benzoic acid tert-butyl ester
- Trimethylcarbinol benzoate
- 1,1-dimethylethyl benzoate
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4861 | Relay (1.0) Calculated Property | |
| ΔfG° | -76.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -364.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.642 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 2835.36 | kPa | Joback Calculated Property |
| Tboil | 497.85 | K | Relay (1.0) Calculated Property |
| Tc | 698.64 | K | Relay (1.0) Calculated Property |
| Tfus | 254.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.557 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.74; 427.65] | J/mol×K | [550.82; 773.39] | 
|
| Cp,gas | 349.74 | J/mol×K | 550.82 | Joback Calculated Property |
| Cp,gas | 365.17 | J/mol×K | 587.91 | Joback Calculated Property |
| Cp,gas | 379.55 | J/mol×K | 625.01 | Joback Calculated Property |
| Cp,gas | 392.95 | J/mol×K | 662.10 | Joback Calculated Property |
| Cp,gas | 405.40 | J/mol×K | 699.20 | Joback Calculated Property |
| Cp,gas | 416.95 | J/mol×K | 736.29 | Joback Calculated Property |
| Cp,gas | 427.65 | J/mol×K | 773.39 | Joback Calculated Property |
| η | [0.0001854; 0.0027809] | Pa×s | [314.73; 550.82] |
|
| η | 0.0027809 | Pa×s | 314.73 | Joback Calculated Property |
| η | 0.0013780 | Pa×s | 354.08 | Joback Calculated Property |
| η | 0.0007858 | Pa×s | 393.43 | Joback Calculated Property |
| η | 0.0004963 | Pa×s | 432.77 | Joback Calculated Property |
| η | 0.0003384 | Pa×s | 472.12 | Joback Calculated Property |
| η | 0.0002448 | Pa×s | 511.47 | Joback Calculated Property |
| η | 0.0001854 | Pa×s | 550.82 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 369.00 | K | 0.30 | NIST |
Similar Compounds
Find more compounds similar to Benzoic acid 1,1-dimethylethyl ester.
Sources
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