- InChI
- InChI=1S/C18H6N8O16/c27-19(28)7-1-13(23(35)36)17(14(2-7)24(37)38)9-5-10(12(22(33)34)6-11(9)21(31)32)18-15(25(39)40)3-8(20(29)30)4-16(18)26(41)42/h1-6H
- InChI Key
- ACFBFTOJGUDZAU-UHFFFAOYSA-N
- Formula
- C18H6N8O16
- SMILES
-
O=[N+]([O-])c1cc([N+](=O)[O-])
c(-c2cc(-c3c([N+](=O)[O-])cc([ N+](=O)[O-])cc3[N+](=O)[O-])c( [N+](=O)[O-])cc2[N+](=O)[O-])c ([N+](=O)[O-])c1 - Molecular Weight1
- 590.28
- CAS
- 33491-88-2
- Other Names
-
- Octanite
- 2,2",4,4',4",6,6',6"-Octanitro-m-terphenyl
- 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 | -8035.40 ± 8.80 | kJ/mol | NIST |
| ΔfG° | 635.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 105.43 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | 95.00 ± 18.00 | kJ/mol | NIST |
| ΔfusH° | 111.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 201.18 | kJ/mol | Joback Calculated Property |
| log10WS | -11.88 | Crippen Calculated Property | |
| logPoct/wat | 4.286 | Crippen Calculated Property | |
| McVol | 332.560 | ml/mol | McGowan Calculated Property |
| Pc | 2520.12 | kPa | Joback Calculated Property |
| Tboil | 1950.82 | K | Joback Calculated Property |
| Tc | 2411.16 | K | Joback Calculated Property |
| Tfus | 1633.44 | K | Joback Calculated Property |
| Vc | 1.375 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [949.39; 1004.19] | J/mol×K | [1950.82; 2411.16] | 
|
| Cp,gas | 949.39 | J/mol×K | 1950.82 | Joback Calculated Property |
| Cp,gas | 949.89 | J/mol×K | 2027.54 | Joback Calculated Property |
| Cp,gas | 953.07 | J/mol×K | 2104.27 | Joback Calculated Property |
| Cp,gas | 959.52 | J/mol×K | 2180.99 | Joback Calculated Property |
| Cp,gas | 969.80 | J/mol×K | 2257.71 | Joback Calculated Property |
| Cp,gas | 984.50 | J/mol×K | 2334.44 | Joback Calculated Property |
| Cp,gas | 1004.19 | J/mol×K | 2411.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2'',4,4',4'',6,6',6''-Octanitro-m-terphenyl.
Sources
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