- InChI
- InChI=1S/C13H5N5O11/c19-13(8-2-1-6(14(20)21)3-9(8)16(24)25)12-10(17(26)27)4-7(15(22)23)5-11(12)18(28)29/h1-5H
- InChI Key
- SZWQTMLLIXBBNS-UHFFFAOYSA-N
- Formula
- C13H5N5O11
- SMILES
-
O=C(c1ccc([N+](=O)[O-])cc1[N+]
(=O)[O-])c1c([N+](=O)[O-])cc([ N+](=O)[O-])cc1[N+](=O)[O-] - Molecular Weight1
- 407.21
- CAS
- 32255-35-9
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -5716.00 ± 2.00 | kJ/mol | NIST |
| ΔfG° | 284.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -62.32 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -115.00 ± 5.00 | kJ/mol | NIST |
| ΔfusH° | 73.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 142.09 | kJ/mol | Joback Calculated Property |
| log10WS | -6.68 | Crippen Calculated Property | |
| logPoct/wat | 2.459 | Crippen Calculated Property | |
| McVol | 235.180 | ml/mol | McGowan Calculated Property |
| Pc | 3243.03 | kPa | Joback Calculated Property |
| Tboil | 1388.17 | K | Joback Calculated Property |
| Tc | 1714.64 | K | Joback Calculated Property |
| Tfus | 1119.69 | K | Joback Calculated Property |
| Vc | 0.964 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [678.52; 685.28] | J/mol×K | [1388.17; 1714.64] | 
|
| Cp,gas | 685.28 | J/mol×K | 1388.17 | Joback Calculated Property |
| Cp,gas | 685.00 | J/mol×K | 1442.58 | Joback Calculated Property |
| Cp,gas | 684.17 | J/mol×K | 1496.99 | Joback Calculated Property |
| Cp,gas | 682.95 | J/mol×K | 1551.41 | Joback Calculated Property |
| Cp,gas | 681.50 | J/mol×K | 1605.82 | Joback Calculated Property |
| Cp,gas | 679.97 | J/mol×K | 1660.23 | Joback Calculated Property |
| Cp,gas | 678.52 | J/mol×K | 1714.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2',4,4',6-Pentanitrobenzophenone.
Sources
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