- InChI
- InChI=1S/CFN3O6/c2-1(3(6)7,4(8)9)5(10)11
- InChI Key
- IHOVZLJULZIGOW-UHFFFAOYSA-N
- Formula
- CFN3O6
- SMILES
-
O=[N+]([O-])C(F)([N+](=O)[O-])
[N+](=O)[O-] - Molecular Weight1
- 169.03
- CAS
- 1840-42-2
- Other Names
-
- Fluorotrinitromethane
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid 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).
- 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).
- 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ω | 0.4128 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -3336.60 ± 2.00 | kJ/mol | NIST |
| ΔfG° | -127.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -157.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -220.20 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 28.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.70 ± 0.42 | kJ/mol | NIST |
| IE | 11.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.603 | Crippen Calculated Property | |
| McVol | 78.980 | ml/mol | McGowan Calculated Property |
| Pc | 5880.91 | kPa | Joback Calculated Property |
| Tboil | 340.18 | K | Relay (1.0) Calculated Property |
| Tc | 673.05 | K | Relay (1.0) Calculated Property |
| Tfus | 244.15 ± 0.10 | K | NIST |
| Vc | 0.281 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [196.18; 216.29] | J/mol×K | [673.84; 955.10] | 
|
| Cp,gas | 196.18 | J/mol×K | 673.84 | Joback Calculated Property |
| Cp,gas | 200.97 | J/mol×K | 720.72 | Joback Calculated Property |
| Cp,gas | 205.07 | J/mol×K | 767.59 | Joback Calculated Property |
| Cp,gas | 208.57 | J/mol×K | 814.47 | Joback Calculated Property |
| Cp,gas | 211.54 | J/mol×K | 861.35 | Joback Calculated Property |
| Cp,gas | 214.09 | J/mol×K | 908.22 | Joback Calculated Property |
| Cp,gas | 216.29 | J/mol×K | 955.10 | Joback Calculated Property |
| ΔvapH | 34.20 | kJ/mol | 316.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [260.64; 378.99] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.63754e+01 | |||
| Coefficient B | -4.19317e+03 | |||
| Temperature range, min. | 260.64 | |||
| Temperature range, max. | 378.99 | |||
| Pvap | 1.33 | kPa | 260.64 | Calculated Property |
| Pvap | 2.89 | kPa | 273.79 | Calculated Property |
| Pvap | 5.82 | kPa | 286.94 | Calculated Property |
| Pvap | 11.05 | kPa | 300.09 | Calculated Property |
| Pvap | 19.87 | kPa | 313.24 | Calculated Property |
| Pvap | 34.07 | kPa | 326.39 | Calculated Property |
| Pvap | 56.03 | kPa | 339.54 | Calculated Property |
| Pvap | 88.80 | kPa | 352.69 | Calculated Property |
| Pvap | 136.14 | kPa | 365.84 | Calculated Property |
| Pvap | 202.63 | kPa | 378.99 | Calculated Property |
Similar Compounds
Find more compounds similar to Methane, fluorotrinitro-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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