- 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° | 23.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.38 | 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 | 2163.33 | kPa | Joback Calculated Property |
| Inp | 1663.50 | NIST | |
| Tboil | 556.16 | K | Relay (1.0) Calculated Property |
| Tc | 773.11 | K | Relay (1.0) Calculated Property |
| Tfus | 324.64 | 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 | [541.74; 615.29] | J/mol×K | [705.71; 922.82] | 
|
| Cp,gas | 541.74 | J/mol×K | 705.71 | Joback Calculated Property |
| Cp,gas | 556.41 | J/mol×K | 741.90 | Joback Calculated Property |
| Cp,gas | 570.09 | J/mol×K | 778.08 | Joback Calculated Property |
| Cp,gas | 582.79 | J/mol×K | 814.27 | Joback Calculated Property |
| Cp,gas | 594.55 | J/mol×K | 850.45 | Joback Calculated Property |
| Cp,gas | 605.37 | J/mol×K | 886.64 | Joback Calculated Property |
| Cp,gas | 615.29 | J/mol×K | 922.82 | Joback Calculated Property |
| η | [0.0000995; 0.0008100] | Pa×s | [445.74; 705.71] |
|
| η | 0.0008100 | Pa×s | 445.74 | Joback Calculated Property |
| η | 0.0004893 | Pa×s | 489.07 | Joback Calculated Property |
| η | 0.0003208 | Pa×s | 532.40 | Joback Calculated Property |
| η | 0.0002241 | Pa×s | 575.73 | Joback Calculated Property |
| η | 0.0001647 | Pa×s | 619.05 | Joback Calculated Property |
| η | 0.0001259 | Pa×s | 662.38 | Joback Calculated Property |
| η | 0.0000995 | Pa×s | 705.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-TERT-BUTYL-O-PHENYLENE DIACETATE.
Sources
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