- InChI
- InChI=1S/CBrN3O6/c2-1(3(6)7,4(8)9)5(10)11
- InChI Key
- KWSSHZBBUQSMKF-UHFFFAOYSA-N
- Formula
- CBrN3O6
- SMILES
-
O=[N+]([O-])C(Br)([N+](=O)[O-]
)[N+](=O)[O-] - Molecular Weight1
- 229.93
- CAS
- 560-95-2
- Other Names
-
- Bromotrinitromethane
- Bromopicrin
- 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°liquid : Liquid 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | 81.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 94.60 | kJ/mol | NIST |
| ΔfH°liquid | [13.50; 48.50] | kJ/mol |
|
| ΔfH°liquid | 48.50 | kJ/mol | NIST |
| ΔfH°liquid | 13.50 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 30.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [46.00; 47.74] | kJ/mol |
|
| ΔvapH° | 46.00 | kJ/mol | NIST |
| ΔvapH° | 47.74 | kJ/mol | NIST |
| log10WS | -2.52 | Crippen Calculated Property | |
| logPoct/wat | -0.177 | Crippen Calculated Property | |
| McVol | 94.710 | ml/mol | McGowan Calculated Property |
| Pc | 7061.65 | kPa | Joback Calculated Property |
| Tboil | 740.73 | K | Joback Calculated Property |
| Tc | 1047.74 | K | Joback Calculated Property |
| Tfus | 594.08 | K | Joback Calculated Property |
| Vc | 0.389 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [205.86; 222.11] | J/mol×K | [740.73; 1047.74] |
|
| Cp,gas | 205.86 | J/mol×K | 740.73 | Joback Calculated Property |
| Cp,gas | 209.62 | J/mol×K | 791.90 | Joback Calculated Property |
| Cp,gas | 212.78 | J/mol×K | 843.07 | Joback Calculated Property |
| Cp,gas | 215.48 | J/mol×K | 894.23 | Joback Calculated Property |
| Cp,gas | 217.84 | J/mol×K | 945.40 | Joback Calculated Property |
| Cp,gas | 220.01 | J/mol×K | 996.57 | Joback Calculated Property |
| Cp,gas | 222.11 | J/mol×K | 1047.74 | Joback Calculated Property |
| ΔvapH | 47.80 | kJ/mol | 326.50 | NIST |
Similar Compounds
Find more compounds similar to Methane, bromotrinitro-.
Sources
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