- InChI
- InChI=1S/C14H18O4/c1-9(15)17-12-7-6-11(14(3,4)5)8-13(12)18-10(2)16/h6-8H,1-5H3
- InChI Key
- NBDHUKNVZPIOEW-UHFFFAOYSA-N
- Formula
- C14H18O4
- SMILES
-
CC(=O)Oc1ccc(C(C)(C)C)cc1OC(C)
=O - Molecular Weight1
- 250.29
- Other Names
-
- 2-(Acetyloxy)-4-tert-butylphenyl acetate
- 4-tert-Butyl-1,2-diacetoxybenzene
- 4-tert-Butylcatechol, diacetate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -734.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.96 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.835 | Crippen Calculated Property | |
| McVol | 199.240 | ml/mol | McGowan Calculated Property |
| Pc | 2007.30 | kPa | Joback Calculated Property |
| Inp | 1663.50 | NIST | |
| Tboil | 556.16 | K | Relay (1.0) Calculated Property |
| Tc | 776.88 | K | Relay (1.0) Calculated Property |
| Tfus | 314.57 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [532.57; 608.28] | J/mol×K | [669.77; 883.09] | 
|
| Cp,gas | 532.57 | J/mol×K | 669.77 | Joback Calculated Property |
| Cp,gas | 547.83 | J/mol×K | 705.32 | Joback Calculated Property |
| Cp,gas | 561.99 | J/mol×K | 740.88 | Joback Calculated Property |
| Cp,gas | 575.10 | J/mol×K | 776.43 | Joback Calculated Property |
| Cp,gas | 587.17 | J/mol×K | 811.99 | Joback Calculated Property |
| Cp,gas | 598.22 | J/mol×K | 847.54 | Joback Calculated Property |
| Cp,gas | 608.28 | J/mol×K | 883.09 | Joback Calculated Property |
| η | [0.0000813; 0.0013769] | Pa×s | [386.08; 669.77] |
|
| η | 0.0013769 | Pa×s | 386.08 | Joback Calculated Property |
| η | 0.0006642 | Pa×s | 433.36 | Joback Calculated Property |
| η | 0.0003698 | Pa×s | 480.64 | Joback Calculated Property |
| η | 0.0002287 | Pa×s | 527.92 | Joback Calculated Property |
| η | 0.0001530 | Pa×s | 575.21 | Joback Calculated Property |
| η | 0.0001089 | Pa×s | 622.49 | Joback Calculated Property |
| η | 0.0000813 | Pa×s | 669.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-TERT-BUTYL-O-PHENYLENE DIACETATE.
Sources
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