- InChI
- InChI=1S/C10H12N2O3/c1-3-11(2)10(13)8-4-6-9(7-5-8)12(14)15/h4-7H,3H2,1-2H3
- InChI Key
- QFUPVKZFMKXFJP-UHFFFAOYSA-N
- Formula
- C10H12N2O3
- SMILES
-
CCN(C)C(=O)c1ccc([N+](=O)[O-])
cc1 - Molecular Weight1
- 208.21
- 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° | 153.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -80.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.17 | kJ/mol | Joback Calculated Property |
| log10WS | -2.68 | Crippen Calculated Property | |
| logPoct/wat | 1.687 | Crippen Calculated Property | |
| McVol | 156.970 | ml/mol | McGowan Calculated Property |
| Pc | 3124.49 | kPa | Joback Calculated Property |
| Inp | [2052.00; 2052.00] |
|
|
| Inp | 2052.00 | NIST | |
| Inp | 2052.00 | NIST | |
| Tboil | 678.01 | K | Joback Calculated Property |
| Tc | 915.04 | K | Joback Calculated Property |
| Tfus | 467.41 | K | Joback Calculated Property |
| Vc | 0.594 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [408.55; 471.31] | J/mol×K | [678.01; 915.04] |
|
| Cp,gas | 408.55 | J/mol×K | 678.01 | Joback Calculated Property |
| Cp,gas | 421.31 | J/mol×K | 717.52 | Joback Calculated Property |
| Cp,gas | 433.07 | J/mol×K | 757.02 | Joback Calculated Property |
| Cp,gas | 443.90 | J/mol×K | 796.53 | Joback Calculated Property |
| Cp,gas | 453.84 | J/mol×K | 836.03 | Joback Calculated Property |
| Cp,gas | 462.96 | J/mol×K | 875.54 | Joback Calculated Property |
| Cp,gas | 471.31 | J/mol×K | 915.04 | Joback Calculated Property |
Similar Compounds
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Sources
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