Trichloronitromethane
- Formula: CCl3NO2
- Molecular weight: 164.375
- IUPAC Standard InChI: InChI=1S/CCl3NO2/c2-1(3,4)5(6)7
- IUPAC Standard InChIKey: LFHISGNCFUNFFM-UHFFFAOYSA-N
- CAS Registry Number: 76-06-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Chloropicrin; Methane, trichloronitro-; Acquinite; G 25; Larvacide; Microlysin; Nitrochloroform; Nitrotrichloromethane; Picfume; PS; S 1; Chloorpikrine; Chlor-o-pic; Chloroform, nitro-; Chloropicrine; Chlorpikrin; Cloropicrina; Dojyopicrin; Dolochlor; Nemax; NCI-C00533; Pic-Clor; Picride; Tri-Clor; Trichloornitromethaan; Trichlornitromethan; Tricloro-nitro-metano; KLOP; Profume A; UN 1580; Nitromethane, 1,1,1-trichloro-; Larvacide 100; Chlorpicrin; NSC 8743
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Phase change data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 385.1 | K | N/A | Lecat, 1947 | Uncertainty assigned by TRC = 0.7 K; TRC |
| Tboil | 385.05 | K | N/A | Lecat, 1947, 2 | Uncertainty assigned by TRC = 0.5 K; TRC |
| Tboil | 385.00 | K | N/A | Lecat, 1927 | Uncertainty assigned by TRC = 0.5 K; TRC |
| Tboil | 385.15 | K | N/A | Perkin, 1889 | Uncertainty assigned by TRC = 1.5 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 203.7 | K | N/A | Dreisbach, 1955 | Uncertainty assigned by TRC = 0.02 K; TRC |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 9.39 | 288. | A | Stephenson and Malanowski, 1987 | Based on data from 273. to 333. K.; AC |
| 9.20 | 316. | A | Stephenson and Malanowski, 1987 | Based on data from 301. to 449. K. See also Dykyj, 1970.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 247.7 to 385.1 | 4.35318 | 1506.333 | -39.369 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Gas Chromatography
Go To: Top, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 761. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lecat, 1947
Lecat, M.,
Orthobaric Azeotropes of Sulfides,
Bull. Cl. Sci., Acad. R. Belg., 1947, 33, 160-82. [all data]
Lecat, 1947, 2
Lecat, M.,
Some azeotropes of which one constituant is heterocyclic nitrogen,
Ann. Soc. Sci. Bruxelles, Ser. 1, 1947, 61, 73. [all data]
Lecat, 1927
Lecat, M.,
New binary azeotropes: 7th list,
Ann. Soc. Sci. Bruxelles, Ser. B, 1927, 47, 108-14. [all data]
Perkin, 1889
Perkin, W.H.,
The Magneto Rotatory Power of Nitrogne Compounds. also of Hydrochloric Hydrobromic and Hydroioidic Acids and of some of the Salts of Ammonia and the Compound Ammonias,
J. Chem. Soc., 1889, 55, 680. [all data]
Dreisbach, 1955
Dreisbach, R.R.,
Physical Properties of Chemical Compounds, Advances in Chemistry Series No. 15, Am. Chem. Soc.: Washington, D. C., 1955. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Dykyj, 1970
Dykyj, J.,
Petrochemica, 1970, 10, 2, 51. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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