- InChI
- InChI=1S/C24H6N12O24/c37-25(38)7-1-9(27(41)42)17(10(2-7)28(43)44)19-13(31(49)50)5-15(33(53)54)21(23(19)35(57)58)22-16(34(55)56)6-14(32(51)52)20(24(22)36(59)60)18-11(29(45)46)3-8(26(39)40)4-12(18)30(47)48/h1-6H
- InChI Key
- IFPMZBBHBZQTOV-UHFFFAOYSA-N
- Formula
- C24H6N12O24
- SMILES
-
O=[N+]([O-])c1cc([N+](=O)[O-])
c(-c2c([N+](=O)[O-])cc([N+](=O )[O-])c(-c3c([N+](=O)[O-])cc([ N+](=O)[O-])c(-c4c([N+](=O)[O- ])cc([N+](=O)[O-])cc4[N+](=O)[ O-])c3[N+](=O)[O-])c2[N+](=O)[ O-])c([N+](=O)[O-])c1 - Molecular Weight1
- 846.37
- CAS
- 23242-92-4
- 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 | -10515.00 ± 4.00 | kJ/mol | NIST |
| ΔfG° | 892.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 117.73 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | 213.00 ± 10.00 | kJ/mol | NIST |
| ΔfusH° | 164.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 286.48 | kJ/mol | Joback Calculated Property |
| log10WS | -17.09 | Crippen Calculated Property | |
| logPoct/wat | 5.586 | Crippen Calculated Property | |
| McVol | 463.020 | ml/mol | McGowan Calculated Property |
| Pc | 1950.95 | kPa | Joback Calculated Property |
| Tboil | 2747.04 | K | Joback Calculated Property |
| Tc | 3950.56 | K | Joback Calculated Property |
| Tfus | 2364.52 | K | Joback Calculated Property |
| Vc | 1.931 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1375.58; 3682.42] | J/mol×K | [2747.04; 3950.56] | 
|
| Cp,gas | 1375.58 | J/mol×K | 2747.04 | Joback Calculated Property |
| Cp,gas | 1528.50 | J/mol×K | 2947.63 | Joback Calculated Property |
| Cp,gas | 1756.90 | J/mol×K | 3148.21 | Joback Calculated Property |
| Cp,gas | 2073.64 | J/mol×K | 3348.80 | Joback Calculated Property |
| Cp,gas | 2491.58 | J/mol×K | 3549.39 | Joback Calculated Property |
| Cp,gas | 3023.55 | J/mol×K | 3749.98 | Joback Calculated Property |
| Cp,gas | 3682.42 | J/mol×K | 3950.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2',2",2'",4,4',4",4'",6,6',6",6'"-Dodecanitroquatraphenyl.
Sources
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