- InChI
- InChI=1S/CHN3O6/c5-2(6)1(3(7)8)4(9)10/h1H
- InChI Key
- LZGVDNRJCGPNDS-UHFFFAOYSA-N
- Formula
- CHN3O6
- SMILES
-
O=[N+]([O-])C([N+](=O)[O-])[N+
](=O)[O-] - Molecular Weight1
- 151.04
- CAS
- 517-25-9
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- 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°liquid | [-504.30; -458.48] | kJ/mol |
|
| ΔcH°liquid | -504.30 | kJ/mol | NIST |
| ΔcH°liquid | -458.48 | kJ/mol | NIST |
| ΔcH°solid | [-520.90; -488.00] | kJ/mol |
|
| ΔcH°solid | -488.00 ± 13.00 | kJ/mol | NIST |
| ΔcH°solid | -520.90 | kJ/mol | NIST |
| ΔfG° | 61.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -101.53 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | [-77.95; -32.10] | kJ/mol |
|
| ΔfH°liquid | -68.00 ± 3.10 | kJ/mol | NIST |
| ΔfH°liquid | -32.10 | kJ/mol | NIST |
| ΔfH°liquid | -77.95 | kJ/mol | NIST |
| ΔfH°solid | -48.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 28.91 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [45.20; 46.00] | kJ/mol |
|
| ΔsubH° | 45.20 ± 2.10 | kJ/mol | NIST |
| ΔsubH° | 46.00 ± 0.42 | kJ/mol | NIST |
| ΔvapH° | 54.80 | kJ/mol | NIST |
| IE | 12.23 | eV | NIST |
| log10WS | -1.60 | Crippen Calculated Property | |
| logPoct/wat | -0.900 | Crippen Calculated Property | |
| McVol | 77.210 | ml/mol | McGowan Calculated Property |
| Pc | 6200.01 | kPa | Joback Calculated Property |
| Tboil | 677.36 | K | Joback Calculated Property |
| Tc | 961.37 | K | Joback Calculated Property |
| Tfus | 292.00 ± 3.00 | K | NIST |
| Vc | 0.332 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [184.70; 208.33] | J/mol×K | [677.36; 961.37] |
|
| Cp,gas | 184.70 | J/mol×K | 677.36 | Joback Calculated Property |
| Cp,gas | 190.07 | J/mol×K | 724.69 | Joback Calculated Property |
| Cp,gas | 194.82 | J/mol×K | 772.03 | Joback Calculated Property |
| Cp,gas | 198.98 | J/mol×K | 819.36 | Joback Calculated Property |
| Cp,gas | 202.60 | J/mol×K | 866.70 | Joback Calculated Property |
| Cp,gas | 205.70 | J/mol×K | 914.03 | Joback Calculated Property |
| Cp,gas | 208.33 | J/mol×K | 961.37 | Joback Calculated Property |
| ΔvapH | 32.60 | kJ/mol | 303.50 | NIST |
Similar Compounds
Find more compounds similar to trinitromethane.
Sources
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