- InChI
- InChI=1S/CClN3O6/c2-1(3(6)7,4(8)9)5(10)11
- InChI Key
- GNZCDDDPGSFZFG-UHFFFAOYSA-N
- Formula
- CClN3O6
- SMILES
-
O=[N+]([O-])C(Cl)([N+](=O)[O-]
)[N+](=O)[O-] - Molecular Weight1
- 185.48
- CAS
- 1943-16-4
- Other Names
-
- Chloronitroform
- Chlorotrinitromethane
- Trinitrochloromethane
- 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).
- 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° | 55.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 21.00 | kJ/mol | NIST |
| ΔfH°liquid | [-23.30; -13.00] | kJ/mol |
|
| ΔfH°liquid | -13.00 | kJ/mol | NIST |
| ΔfH°liquid | -23.30 ± 0.75 | kJ/mol | NIST |
| ΔfusH° | 29.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [33.00; 45.44] | kJ/mol |
|
| ΔvapH° | 33.00 | kJ/mol | NIST |
| ΔvapH° | 45.44 | kJ/mol | NIST |
| log10WS | -2.24 | Crippen Calculated Property | |
| logPoct/wat | -0.333 | Crippen Calculated Property | |
| McVol | 89.450 | ml/mol | McGowan Calculated Property |
| Pc | 5953.74 | kPa | Joback Calculated Property |
| Tboil | 712.00 | K | Joback Calculated Property |
| Tc | 1009.76 | K | Joback Calculated Property |
| Tfus | 278.90 ± 0.10 | K | NIST |
| Vc | 0.376 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [202.57; 219.70] | J/mol×K | [712.00; 1009.76] |
|
| Cp,gas | 202.57 | J/mol×K | 712.00 | Joback Calculated Property |
| Cp,gas | 206.76 | J/mol×K | 761.63 | Joback Calculated Property |
| Cp,gas | 210.27 | J/mol×K | 811.25 | Joback Calculated Property |
| Cp,gas | 213.22 | J/mol×K | 860.88 | Joback Calculated Property |
| Cp,gas | 215.70 | J/mol×K | 910.51 | Joback Calculated Property |
| Cp,gas | 217.83 | J/mol×K | 960.14 | Joback Calculated Property |
| Cp,gas | 219.70 | J/mol×K | 1009.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methane, chlorotrinitro-.
Sources
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