- InChI
- InChI=1S/C14H8N2O7/c17-13(9-1-5-11(6-2-9)15(19)20)23-14(18)10-3-7-12(8-4-10)16(21)22/h1-8H
- InChI Key
- JYMVSZGJZRQOFY-UHFFFAOYSA-N
- Formula
- C14H8N2O7
- SMILES
-
O=C(OC(=O)c1ccc([N+](=O)[O-])c
c1)c1ccc([N+](=O)[O-])cc1 - Molecular Weight1
- 316.22
- CAS
- 902-47-6
- Other Names
-
- p-Nitrobenzoic acid 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 | 0.9213 | Relay (1.0) Calculated Property | |
| ΔfG° | -19.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -336.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.500 | Crippen Calculated Property | |
| McVol | 204.450 | ml/mol | McGowan Calculated Property |
| Pc | 3096.73 | kPa | Joback Calculated Property |
| Tboil | 634.39 | K | Relay (1.0) Calculated Property |
| Tc | 983.34 | K | Relay (1.0) Calculated Property |
| Tfus | 413.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.722 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [590.04; 610.59] | J/mol×K | [1016.88; 1296.07] | 
|
| Cp,gas | 590.04 | J/mol×K | 1016.88 | Joback Calculated Property |
| Cp,gas | 596.26 | J/mol×K | 1063.41 | Joback Calculated Property |
| Cp,gas | 601.26 | J/mol×K | 1109.94 | Joback Calculated Property |
| Cp,gas | 605.12 | J/mol×K | 1156.48 | Joback Calculated Property |
| Cp,gas | 607.91 | J/mol×K | 1203.01 | Joback Calculated Property |
| Cp,gas | 609.71 | J/mol×K | 1249.54 | Joback Calculated Property |
| Cp,gas | 610.59 | J/mol×K | 1296.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-nitro-, anhydride.
Sources
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