- InChI
- InChI=1S/C12H5NO5/c14-11-8-3-1-2-6-4-7(13(16)17)5-9(10(6)8)12(15)18-11/h1-5H
- InChI Key
- FLFLZYYDLIKGJQ-UHFFFAOYSA-N
- Formula
- C12H5NO5
- SMILES
-
O=C1OC(=O)c2cc([N+](=O)[O-])cc
3cccc1c23 - Molecular Weight1
- 243.17
- CAS
- 3027-38-1
- Other Names
-
- Naphthalic anhydride, 3-nitro-
- 1H,3H-Naphtho(1,8-cd)pyran-1,3-dione, 5-nitro-
- 3-Nitronaphthalic anhydride
- 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 | 0.7364 | Relay (... Calculated Property | |
| ΔfG° | 13.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -293.08 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 32.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.36 | kJ/mol | Relay (... Calculated Property |
| IE | 9.54 | eV | Relay (... Calculated Property |
| log10WS | -3.91 | Relay (... Calculated Property | |
| logPoct/wat | 2.059 | Crippen Calculated Property | |
| McVol | 152.290 | ml/mol | McGowan Calculated Property |
| Pc | 3891.64 | kPa | Joback Calculated Property |
| Tboil | 661.47 | K | Relay (... Calculated Property |
| Tc | 1005.18 | K | Relay (... Calculated Property |
| Tfus | 461.52 | K | Relay (... Calculated Property |
| Vc | 0.563 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [431.32; 475.08] | J/mol×K | [860.40; 1148.18] | 
|
| Cp,gas | 431.32 | J/mol×K | 860.40 | Joback Calculated Property |
| Cp,gas | 441.22 | J/mol×K | 908.36 | Joback Calculated Property |
| Cp,gas | 450.00 | J/mol×K | 956.33 | Joback Calculated Property |
| Cp,gas | 457.73 | J/mol×K | 1004.29 | Joback Calculated Property |
| Cp,gas | 464.45 | J/mol×K | 1052.25 | Joback Calculated Property |
| Cp,gas | 470.22 | J/mol×K | 1100.21 | Joback Calculated Property |
| Cp,gas | 475.08 | J/mol×K | 1148.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Nitro-1,8-naphthalic anhydride.
Sources
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