- InChI
- InChI=1S/C11H14O3/c1-11(2,3)14-13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3
- InChI Key
- GJBRNHKUVLOCEB-UHFFFAOYSA-N
- Formula
- C11H14O3
- SMILES
- CC(C)(C)OOC(=O)c1ccccc1
- Molecular Weight1
- 194.23
- CAS
- 614-45-9
- Other Names
-
- tert-butyl perbenzoate
- tert-Butyl peroxybenzoate
- 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 | 0.5984 | Relay (1.0) Calculated Property | |
| ΔfG° | -181.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -321.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.574 | Crippen Calculated Property | |
| McVol | 155.400 | ml/mol | McGowan Calculated Property |
| Pc | 2784.72 | kPa | Joback Calculated Property |
| Tboil | 516.38 | K | Relay (1.0) Calculated Property |
| Tc | 705.96 | K | Relay (1.0) Calculated Property |
| Tfus | 327.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.592 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [374.61; 450.86] | J/mol×K | [573.24; 793.08] | 
|
| Cp,gas | 374.61 | J/mol×K | 573.24 | Joback Calculated Property |
| Cp,gas | 389.62 | J/mol×K | 609.88 | Joback Calculated Property |
| Cp,gas | 403.67 | J/mol×K | 646.52 | Joback Calculated Property |
| Cp,gas | 416.79 | J/mol×K | 683.16 | Joback Calculated Property |
| Cp,gas | 429.01 | J/mol×K | 719.80 | Joback Calculated Property |
| Cp,gas | 440.35 | J/mol×K | 756.44 | Joback Calculated Property |
| Cp,gas | 450.86 | J/mol×K | 793.08 | Joback Calculated Property |
| η | [0.0001476; 0.0019508] | Pa×s | [336.96; 573.24] |
|
| η | 0.0019508 | Pa×s | 336.96 | Joback Calculated Property |
| η | 0.0010129 | Pa×s | 376.34 | Joback Calculated Property |
| η | 0.0005955 | Pa×s | 415.72 | Joback Calculated Property |
| η | 0.0003838 | Pa×s | 455.10 | Joback Calculated Property |
| η | 0.0002653 | Pa×s | 494.48 | Joback Calculated Property |
| η | 0.0001936 | Pa×s | 533.86 | Joback Calculated Property |
| η | 0.0001476 | Pa×s | 573.24 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 348.70 | K | 0.03 | NIST |
Similar Compounds
Find more compounds similar to Peroxybenzoic acid, tert-butyl ester.
Sources
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