- InChI
- InChI=1S/C10H8N2O2/c11-9-5-6-10(12(13)14)8-4-2-1-3-7(8)9/h1-6H,11H2
- InChI Key
- BVPJPRYNQHAOPQ-UHFFFAOYSA-N
- Formula
- C10H8N2O2
- SMILES
- Nc1ccc([N+](=O)[O-])c2ccccc12
- Molecular Weight1
- 188.18
- CAS
- 776-34-1
- Other Names
-
- 4-Nitro-«alpha»-naphthylamine
- 1-Naphthylamine, 4-nitro-
- 1-Amino-4-nitronaphthalene
- 1,4-Nitronaphthylamine
- 4-Nitro-1-naphthamine
- 4-Nitro-1-naphthylamine
- 4-Nitro-1-naphthalenamine
- NSC 614
- 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 |
|---|---|---|---|
| ΔfG° | 335.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 177.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.33 | kJ/mol | Joback Calculated Property |
| IE | 7.73 ± 0.02 | eV | NIST |
| log10WS | -3.56 | Crippen Calculated Property | |
| logPoct/wat | 2.330 | Crippen Calculated Property | |
| McVol | 135.940 | ml/mol | McGowan Calculated Property |
| Pc | 4093.38 | kPa | Joback Calculated Property |
| Inp | [368.60; 368.60] |
|
|
| Inp | 368.60 | NIST | |
| Inp | 368.60 | NIST | |
| Tboil | 708.19 | K | Joback Calculated Property |
| Tc | 981.03 | K | Joback Calculated Property |
| Tfus | 513.49 | K | Joback Calculated Property |
| Vc | 0.520 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [346.38; 399.21] | J/mol×K | [708.19; 981.03] |
|
| Cp,gas | 346.38 | J/mol×K | 708.19 | Joback Calculated Property |
| Cp,gas | 357.24 | J/mol×K | 753.66 | Joback Calculated Property |
| Cp,gas | 367.13 | J/mol×K | 799.14 | Joback Calculated Property |
| Cp,gas | 376.16 | J/mol×K | 844.61 | Joback Calculated Property |
| Cp,gas | 384.44 | J/mol×K | 890.09 | Joback Calculated Property |
| Cp,gas | 392.09 | J/mol×K | 935.56 | Joback Calculated Property |
| Cp,gas | 399.21 | J/mol×K | 981.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthalenamine, 4-nitro-.
Sources
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