- InChI
- InChI=1S/CCl3NO2/c2-1(3,4)5(6)7
- InChI Key
- LFHISGNCFUNFFM-UHFFFAOYSA-N
- Formula
- CCl3NO2
- SMILES
- O=[N+]([O-])C(Cl)(Cl)Cl
- Molecular Weight1
- 164.38
- CAS
- 76-06-2
- Other Names
-
- Acquinite
- Chloorpikrine
- Chlor-o-pic
- Chloroform, nitro-
- Chloropicrin
- Chloropicrine
- Chlorpicrin
- Chlorpikrin
- Cloropicrina
- Dojyopicrin
- Dolochlor
- G 25
- KLOP
- Larvacide
- Larvacide 100
- Methane, trichloronitro-
- Microlysin
- NCI-C00533
- NSC 8743
- Nemax
- Nitrochloroform
- Nitromethane, 1,1,1-trichloro-
- Nitrotrichloromethane
- PS
- Pic-Clor
- Picfume
- Picride
- Profume A
- S 1
- Tri-Clor
- Trichloornitromethaan
- Trichlornitromethan
- Tricloro-nitro-metano
- UN 1580
- ω : Acentric Factor.
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.2150 | Relay (1.0) Calculated Property | |
| ΔfG° | -39.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -80.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.61 | eV | Relay (1.0) Calculated Property |
| log10WS | [-2.00; -2.00] |
|
|
| log10WS | -2.00 | Aq. Solubility Prediction | |
| log10WS | -2.00 | Estimated Solubility | |
| logPoct/wat | 1.591 | Crippen Calculated Property | |
| McVol | 79.090 | ml/mol | McGowan Calculated Property |
| Pc | 5146.06 | kPa | Joback Calculated Property |
| Inp | 761.00 | NIST | |
| Tboil | [385.00; 385.15] | K |
|
| Tboil | 385.10 ± 0.70 | K | NIST |
| Tboil | 385.05 ± 0.50 | K | NIST |
| Tboil | 385.00 ± 0.50 | K | NIST |
| Tboil | 385.15 ± 1.50 | K | NIST |
| Tc | 649.07 | K | Relay (1.0) Calculated Property |
| Tfus | [203.70; 206.55] | K |
|
| Tfus | 206.55 | K | Aq. Solubility Prediction |
| Tfus | 203.70 ± 0.02 | K | NIST |
| Vc | 0.288 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [121.68; 137.47] | J/mol×K | [483.18; 736.19] |
|
| Cp,gas | 121.68 | J/mol×K | 483.18 | Joback Calculated Property |
| Cp,gas | 125.50 | J/mol×K | 525.35 | Joback Calculated Property |
| Cp,gas | 128.77 | J/mol×K | 567.52 | Joback Calculated Property |
| Cp,gas | 131.55 | J/mol×K | 609.68 | Joback Calculated Property |
| Cp,gas | 133.89 | J/mol×K | 651.85 | Joback Calculated Property |
| Cp,gas | 135.85 | J/mol×K | 694.02 | Joback Calculated Property |
| Cp,gas | 137.47 | J/mol×K | 736.19 | Joback Calculated Property |
| ΔvapH | [38.50; 39.30] | kJ/mol | [303.00; 375.00] |
|
| ΔvapH | 39.30 | kJ/mol | 303.00 | NIST |
| ΔvapH | 38.50 | kJ/mol | 375.00 | NIST |
Similar Compounds
Find more compounds similar to Trichloronitromethane.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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