- InChI
- InChI=1S/C14H21NO3/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(8-9)15(17)18/h7-8,16H,1-6H3
- InChI Key
- GVKJWGRAPDVEMC-UHFFFAOYSA-N
- Formula
- C14H21NO3
- SMILES
-
CC(C)(C)c1cc([N+](=O)[O-])c(O)
c(C(C)(C)C)c1 - Molecular Weight1
- 251.32
- CAS
- 20039-94-5
- 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).
- 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° | 46.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -324.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.37 | kJ/mol | Joback Calculated Property |
| log10WS | -4.30 | Crippen Calculated Property | |
| logPoct/wat | 3.895 | Crippen Calculated Property | |
| McVol | 207.650 | ml/mol | McGowan Calculated Property |
| Pc | 2351.92 | kPa | Joback Calculated Property |
| Tboil | 782.36 | K | Joback Calculated Property |
| Tc | 1032.60 | K | Joback Calculated Property |
| Tfus | 559.17 | K | Joback Calculated Property |
| Vc | 0.738 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [617.81; 698.29] | J/mol×K | [782.36; 1032.60] | 
|
| Cp,gas | 617.81 | J/mol×K | 782.36 | Joback Calculated Property |
| Cp,gas | 632.82 | J/mol×K | 824.07 | Joback Calculated Property |
| Cp,gas | 646.95 | J/mol×K | 865.77 | Joback Calculated Property |
| Cp,gas | 660.38 | J/mol×K | 907.48 | Joback Calculated Property |
| Cp,gas | 673.28 | J/mol×K | 949.19 | Joback Calculated Property |
| Cp,gas | 685.86 | J/mol×K | 990.89 | Joback Calculated Property |
| Cp,gas | 698.29 | J/mol×K | 1032.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,4-di-t-butyl-6-nitro-.
Sources
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