- InChI
- InChI=1S/C17H20N2O3/c20-16(18-14-2-1-3-15(7-14)19(21)22)17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13H,4-6,8-10H2,(H,18,20)
- InChI Key
- TZDCWSSFXSVSEK-UHFFFAOYSA-N
- Formula
- C17H20N2O3
- SMILES
-
O=C(Nc1cccc([N+](=O)[O-])c1)C1
2CC3CC(CC(C3)C1)C2 - Molecular Weight1
- 300.35
- 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).
- 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 | 0.7100 | Relay (1.0) Calculated Property | |
| ΔfG° | 348.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -248.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.750 | Crippen Calculated Property | |
| McVol | 223.020 | ml/mol | McGowan Calculated Property |
| Pc | 2453.17 | kPa | Joback Calculated Property |
| Tboil | 664.96 | K | Relay (1.0) Calculated Property |
| Tc | 1035.58 | K | Relay (1.0) Calculated Property |
| Tfus | 506.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.796 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [755.36; 882.64] | J/mol×K | [895.96; 1158.94] | 
|
| Cp,gas | 755.36 | J/mol×K | 895.96 | Joback Calculated Property |
| Cp,gas | 774.81 | J/mol×K | 939.79 | Joback Calculated Property |
| Cp,gas | 794.46 | J/mol×K | 983.62 | Joback Calculated Property |
| Cp,gas | 814.69 | J/mol×K | 1027.45 | Joback Calculated Property |
| Cp,gas | 835.87 | J/mol×K | 1071.28 | Joback Calculated Property |
| Cp,gas | 858.40 | J/mol×K | 1115.11 | Joback Calculated Property |
| Cp,gas | 882.64 | J/mol×K | 1158.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Adamantanecarboxamide, N-(3-nitrophenyl)-.
Sources
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