- InChI
- InChI=1S/C14H12N2O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h3-10H,1-2H2
- InChI Key
- BSNKHEKTRWNNAC-UHFFFAOYSA-N
- Formula
- C14H12N2O4
- SMILES
-
O=[N+]([O-])c1ccc(CCc2ccc([N+]
(=O)[O-])cc2)cc1 - Molecular Weight1
- 272.26
- CAS
- 736-30-1
- Other Names
-
- 4,4'-Dinitrodibenzyl
- Benzene, 1,1'-(1,2-ethanediyl)bis[4-nitro-
- p,p'-Dinitrobibenzyl
- p,p'-Dinitrodibenzyl
- Bibenzyl, 4,4'-dinitro-
- 1,2-Bis(p-nitrophenyl)ethane
- 1,2-Bis(4-nitrophenyl)ethane
- 1,2-Ethanediylbis(4-nitrobenzene)
- 1,1'-(1,2-Ethanediyl)bis(4-nitrobenzene)
- NSC 60022
- NSC 608
- 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° | 343.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 96.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.82 | kJ/mol | Joback Calculated Property |
| IE | [9.50; 9.77] | eV |
|
| IE | 9.77 ± 0.05 | eV | NIST |
| IE | 9.50 ± 0.10 | eV | NIST |
| log10WS | -5.19 | Crippen Calculated Property | |
| logPoct/wat | 3.288 | Crippen Calculated Property | |
| McVol | 195.440 | ml/mol | McGowan Calculated Property |
| Pc | 2752.67 | kPa | Joback Calculated Property |
| Inp | 419.60 | NIST | |
| Tboil | 886.72 | K | Joback Calculated Property |
| Tc | 1163.96 | K | Joback Calculated Property |
| Tfus | 612.64 | K | Joback Calculated Property |
| Vc | 0.767 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [565.16; 618.04] | J/mol×K | [886.72; 1163.96] |
|
| Cp,gas | 565.16 | J/mol×K | 886.72 | Joback Calculated Property |
| Cp,gas | 576.51 | J/mol×K | 932.93 | Joback Calculated Property |
| Cp,gas | 586.69 | J/mol×K | 979.13 | Joback Calculated Property |
| Cp,gas | 595.81 | J/mol×K | 1025.34 | Joback Calculated Property |
| Cp,gas | 604.00 | J/mol×K | 1071.54 | Joback Calculated Property |
| Cp,gas | 611.37 | J/mol×K | 1117.75 | Joback Calculated Property |
| Cp,gas | 618.04 | J/mol×K | 1163.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,4'-Dinitrobibenzyl.
Sources
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