- InChI
- InChI=1S/CIN3O6/c2-1(3(6)7,4(8)9)5(10)11
- InChI Key
- PVYWOZWHSJHJFC-UHFFFAOYSA-N
- Formula
- CIN3O6
- SMILES
-
O=[N+]([O-])C(I)([N+](=O)[O-])
[N+](=O)[O-] - Molecular Weight1
- 276.93
- CAS
- 630-70-6
- Other Names
-
- Iodotrinitromethane
- 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).
- ΔsubH° : Enthalpy of sublimation 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 |
|---|---|---|---|
| ΔfG° | 125.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 163.00 | kJ/mol | NIST |
| ΔfH°solid | 114.00 | kJ/mol | NIST |
| ΔfusH° | 29.42 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 49.00 | kJ/mol | NIST |
| ΔvapH° | 75.67 | kJ/mol | Joback Calculated Property |
| log10WS | -3.04 | Crippen Calculated Property | |
| logPoct/wat | -0.137 | Crippen Calculated Property | |
| McVol | 103.030 | ml/mol | McGowan Calculated Property |
| Pc | 6093.99 | kPa | Joback Calculated Property |
| Tboil | 767.71 | K | Joback Calculated Property |
| Tc | 1092.62 | K | Joback Calculated Property |
| Tfus | 592.34 | K | Joback Calculated Property |
| Vc | 0.414 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.77; 224.01] | J/mol×K | [767.71; 1092.62] | 
|
| Cp,gas | 208.77 | J/mol×K | 767.71 | Joback Calculated Property |
| Cp,gas | 212.16 | J/mol×K | 821.86 | Joback Calculated Property |
| Cp,gas | 214.99 | J/mol×K | 876.01 | Joback Calculated Property |
| Cp,gas | 217.43 | J/mol×K | 930.17 | Joback Calculated Property |
| Cp,gas | 219.63 | J/mol×K | 984.32 | Joback Calculated Property |
| Cp,gas | 221.77 | J/mol×K | 1038.47 | Joback Calculated Property |
| Cp,gas | 224.01 | J/mol×K | 1092.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methane, iodotrinitro-.
Sources
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