![1,3,5-Trinitro-2-[2-(2,4,6-trinitrophenyl)ethyl]benzene](/cid/65-824-5/1-3-5-Trinitro-2-2-2-4-6-trinitrophenyl-ethyl-benzene.png "1,3,5-Trinitro-2-[2-(2,4,6-trinitrophenyl)ethyl]benzene")
- InChI
- InChI=1S/C14H8N6O12/c21-15(22)7-3-11(17(25)26)9(12(4-7)18(27)28)1-2-10-13(19(29)30)5-8(16(23)24)6-14(10)20(31)32/h3-6H,1-2H2
- InChI Key
- VCAOQUOHRYQAPU-UHFFFAOYSA-N
- Formula
- C14H8N6O12
- SMILES
-
O=[N+]([O-])c1cc([N+](=O)[O-])
c(CCc2c([N+](=O)[O-])cc([N+](= O)[O-])cc2[N+](=O)[O-])c([N+]( =O)[O-])c1 - Molecular Weight1
- 452.25
- CAS
- 5180-53-0
- Other Names
-
- 2,2',4,4',6,6'-Hexanitrodibenzyl
- Bibenzyl, 2,2',4,4',6,6'-hexanitro-
- Benzene, 1,1'-(1,2-ethanediyl)bis[2,4,6-trinitro-
- 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 | -6623.00 ± 3.00 | kJ/mol | NIST |
| ΔfG° | 447.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 7.39 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -30.00 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 85.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 154.83 | kJ/mol | Joback Calculated Property |
| log10WS | -7.79 | Crippen Calculated Property | |
| logPoct/wat | 2.921 | Crippen Calculated Property | |
| McVol | 265.120 | ml/mol | McGowan Calculated Property |
| Pc | 2718.33 | kPa | Joback Calculated Property |
| Tboil | 1514.00 | K | Joback Calculated Property |
| Tc | 1856.39 | K | Joback Calculated Property |
| Tfus | 1237.16 | K | Joback Calculated Property |
| Vc | 1.095 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [800.16; 803.29] | J/mol×K | [1514.00; 1856.39] | 
|
| Cp,gas | 803.29 | J/mol×K | 1514.00 | Joback Calculated Property |
| Cp,gas | 802.79 | J/mol×K | 1571.07 | Joback Calculated Property |
| Cp,gas | 802.03 | J/mol×K | 1628.13 | Joback Calculated Property |
| Cp,gas | 801.21 | J/mol×K | 1685.20 | Joback Calculated Property |
| Cp,gas | 800.52 | J/mol×K | 1742.26 | Joback Calculated Property |
| Cp,gas | 800.16 | J/mol×K | 1799.33 | Joback Calculated Property |
| Cp,gas | 800.33 | J/mol×K | 1856.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5-Trinitro-2-[2-(2,4,6-trinitrophenyl)ethyl]benzene.
Sources
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