- InChI
- InChI=1S/C10H6N2O4/c13-11(14)9-5-1-3-7-8(9)4-2-6-10(7)12(15)16/h1-6H
- InChI Key
- ZUTCJXFCHHDFJS-UHFFFAOYSA-N
- Formula
- C10H6N2O4
- SMILES
-
O=[N+]([O-])c1cccc2c([N+](=O)[
O-])cccc12 - Molecular Weight1
- 218.17
- CAS
- 605-71-0
- Other Names
-
- 1,5-Dinitronaphthalene
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 |
|---|---|---|---|
| ΔcH°solid | [-4831.01; -4820.40] | kJ/mol |
|
| ΔcH°solid | -4826.20 ± 7.10 | kJ/mol | NIST |
| ΔcH°solid | -4820.40 ± 5.00 | kJ/mol | NIST |
| ΔcH°solid | -4831.01 | kJ/mol | NIST |
| EA | [1.77; 2.25] | eV |
|
| EA | 1.77 ± 0.10 | eV | NIST |
| EA | 2.25 ± 0.05 | eV | NIST |
| ΔfG° | 304.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 133.41 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | [33.60; 38.40] | kJ/mol |
|
| ΔfH°solid | 33.60 ± 7.10 | kJ/mol | NIST |
| ΔfH°solid | 38.40 | kJ/mol | NIST |
| ΔfusH° | 34.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.28 | kJ/mol | Joback Calculated Property |
| log10WS | -4.58 | Crippen Calculated Property | |
| logPoct/wat | 2.656 | Crippen Calculated Property | |
| McVol | 143.380 | ml/mol | McGowan Calculated Property |
| Pc | 3867.48 | kPa | Joback Calculated Property |
| Inp | [325.70; 328.45] |
|
|
| Inp | 328.45 | NIST | |
| Inp | 328.13 | NIST | |
| Inp | 325.70 | NIST | |
| Inp | 325.70 | NIST | |
| Inp | 328.45 | NIST | |
| Tboil | 787.50 | K | Joback Calculated Property |
| Tc | 1073.68 | K | Joback Calculated Property |
| Tfus | 573.84 | K | Joback Calculated Property |
| Vc | 0.574 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [375.77; 422.31] | J/mol×K | [787.50; 1073.68] |
|
| Cp,gas | 375.77 | J/mol×K | 787.50 | Joback Calculated Property |
| Cp,gas | 385.35 | J/mol×K | 835.20 | Joback Calculated Property |
| Cp,gas | 394.02 | J/mol×K | 882.89 | Joback Calculated Property |
| Cp,gas | 401.92 | J/mol×K | 930.59 | Joback Calculated Property |
| Cp,gas | 409.18 | J/mol×K | 978.29 | Joback Calculated Property |
| Cp,gas | 415.93 | J/mol×K | 1025.98 | Joback Calculated Property |
| Cp,gas | 422.31 | J/mol×K | 1073.68 | Joback Calculated Property |
| Cp,solid | 259.40 | J/mol×K | 323.00 | NIST |
| ΔvapH | 74.70 | kJ/mol | 574.00 | NIST |
Similar Compounds
Find more compounds similar to Naphthalene, 1,5-dinitro-.
Sources
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