- InChI
- InChI=1S/C12H14N2O6/c1-7(15)20-11-9(12(2,3)4)5-8(13(16)17)6-10(11)14(18)19/h5-6H,1-4H3
- InChI Key
- BMJYKXALMDAIEG-UHFFFAOYSA-N
- Formula
- C12H14N2O6
- SMILES
-
CC(=O)Oc1c([N+](=O)[O-])cc([N+
](=O)[O-])cc1C(C)(C)C - Molecular Weight1
- 282.25
- Other Names
-
- 2-tert-Butyl-4,6-dinitro-phenol acetate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -26.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -363.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.61 | kJ/mol | Joback Calculated Property |
| log10WS | -4.40 | Crippen Calculated Property | |
| logPoct/wat | 2.726 | Crippen Calculated Property | |
| McVol | 198.460 | ml/mol | McGowan Calculated Property |
| Pc | 2512.55 | kPa | Joback Calculated Property |
| Inp | 1943.00 | NIST | |
| Tboil | 892.32 | K | Joback Calculated Property |
| Tc | 1150.86 | K | Joback Calculated Property |
| Tfus | 650.78 | K | Joback Calculated Property |
| Vc | 0.776 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [588.06; 635.84] | J/mol×K | [892.32; 1150.86] | 
|
| Cp,gas | 588.06 | J/mol×K | 892.32 | Joback Calculated Property |
| Cp,gas | 598.54 | J/mol×K | 935.41 | Joback Calculated Property |
| Cp,gas | 607.92 | J/mol×K | 978.50 | Joback Calculated Property |
| Cp,gas | 616.29 | J/mol×K | 1021.59 | Joback Calculated Property |
| Cp,gas | 623.68 | J/mol×K | 1064.68 | Joback Calculated Property |
| Cp,gas | 630.18 | J/mol×K | 1107.77 | Joback Calculated Property |
| Cp,gas | 635.84 | J/mol×K | 1150.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-tert-Butyl-4,6-dinitrophenyl acetate.
Sources
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