- InChI
- InChI=1S/C10H14N2O2/c1-8(11-2)7-9-3-5-10(6-4-9)12(13)14/h3-6,8,11H,7H2,1-2H3
- InChI Key
- FMYSLOHXMJLTRT-UHFFFAOYSA-N
- Formula
- C10H14N2O2
- SMILES
- CNC(C)Cc1ccc([N+](=O)[O-])cc1
- Molecular Weight1
- 194.23
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5957 | Relay (1.0) Calculated Property | |
| ΔfG° | 258.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 24.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.745 | Crippen Calculated Property | |
| McVol | 155.400 | ml/mol | McGowan Calculated Property |
| Pc | 2989.32 | kPa | Joback Calculated Property |
| Inp | [1658.00; 1658.00] |
|
|
| Inp | 1658.00 | NIST | |
| Inp | 1658.00 | NIST | |
| Tboil | 564.48 | K | Relay (1.0) Calculated Property |
| Tc | 800.41 | K | Relay (1.0) Calculated Property |
| Tfus | 369.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.534 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [407.30; 476.68] | J/mol×K | [661.43; 898.78] |
|
| Cp,gas | 407.30 | J/mol×K | 661.43 | Joback Calculated Property |
| Cp,gas | 421.22 | J/mol×K | 700.99 | Joback Calculated Property |
| Cp,gas | 434.14 | J/mol×K | 740.55 | Joback Calculated Property |
| Cp,gas | 446.09 | J/mol×K | 780.10 | Joback Calculated Property |
| Cp,gas | 457.13 | J/mol×K | 819.66 | Joback Calculated Property |
| Cp,gas | 467.31 | J/mol×K | 859.22 | Joback Calculated Property |
| Cp,gas | 476.68 | J/mol×K | 898.78 | Joback Calculated Property |
Similar Compounds
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Sources
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