- InChI
- InChI=1S/C14H21NO2/c1-13(2,3)10-7-8-11(14(4,5)6)12(9-10)15(16)17/h7-9H,1-6H3
- InChI Key
- LXBUSXRSPLOXCP-UHFFFAOYSA-N
- Formula
- C14H21NO2
- SMILES
-
CC(C)(C)c1ccc(C(C)(C)C)c([N+](
=O)[O-])c1 - Molecular Weight1
- 235.32
- CAS
- 3463-35-2
- 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° | 201.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -146.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.36 | kJ/mol | Joback Calculated Property |
| log10WS | -4.75 | Crippen Calculated Property | |
| logPoct/wat | 4.190 | Crippen Calculated Property | |
| McVol | 201.780 | ml/mol | McGowan Calculated Property |
| Pc | 2045.61 | kPa | Joback Calculated Property |
| Tboil | 701.74 | K | Joback Calculated Property |
| Tc | 945.60 | K | Joback Calculated Property |
| Tfus | 447.45 | K | Joback Calculated Property |
| Vc | 0.771 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [566.24; 651.61] | J/mol×K | [701.74; 945.60] | 
|
| Cp,gas | 566.24 | J/mol×K | 701.74 | Joback Calculated Property |
| Cp,gas | 583.38 | J/mol×K | 742.38 | Joback Calculated Property |
| Cp,gas | 599.20 | J/mol×K | 783.03 | Joback Calculated Property |
| Cp,gas | 613.81 | J/mol×K | 823.67 | Joback Calculated Property |
| Cp,gas | 627.34 | J/mol×K | 864.31 | Joback Calculated Property |
| Cp,gas | 639.90 | J/mol×K | 904.95 | Joback Calculated Property |
| Cp,gas | 651.61 | J/mol×K | 945.60 | Joback Calculated Property |
Similar Compounds
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Sources
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