- InChI
- InChI=1S/C11H15NO2/c1-6-7(2)9(4)11(12(13)14)10(5)8(6)3/h1-5H3
- InChI Key
- RBDSUVKUGRWOPC-UHFFFAOYSA-N
- Formula
- C11H15NO2
- SMILES
-
Cc1c(C)c(C)c([N+](=O)[O-])c(C)
c1C - Molecular Weight1
- 193.24
- CAS
- 13171-59-0
- 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° | 141.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -101.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.26 | kJ/mol | Joback Calculated Property |
| log10WS | -4.50 | Crippen Calculated Property | |
| logPoct/wat | 3.137 | Crippen Calculated Property | |
| McVol | 159.510 | ml/mol | McGowan Calculated Property |
| Pc | 2485.07 | kPa | Joback Calculated Property |
| Tboil | 654.50 | K | Joback Calculated Property |
| Tc | 888.06 | K | Joback Calculated Property |
| Tfus | 427.00 ± 2.00 | K | NIST |
| Vc | 0.625 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [403.01; 474.55] | J/mol×K | [654.50; 888.06] | 
|
| Cp,gas | 403.01 | J/mol×K | 654.50 | Joback Calculated Property |
| Cp,gas | 416.89 | J/mol×K | 693.43 | Joback Calculated Property |
| Cp,gas | 429.97 | J/mol×K | 732.35 | Joback Calculated Property |
| Cp,gas | 442.26 | J/mol×K | 771.28 | Joback Calculated Property |
| Cp,gas | 453.78 | J/mol×K | 810.21 | Joback Calculated Property |
| Cp,gas | 464.54 | J/mol×K | 849.13 | Joback Calculated Property |
| Cp,gas | 474.55 | J/mol×K | 888.06 | Joback Calculated Property |
Similar Compounds
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Sources
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