Nitrapyrin
- Formula: C6H3Cl4N
- Molecular weight: 230.907
- IUPAC Standard InChIKey: DCUJJWWUNKIJPH-UHFFFAOYSA-N
- CAS Registry Number: 1929-82-4
- 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: Pyridine, 2-chloro-6-(trichloromethyl)-; N-Serve; 2-Chloro-6-(trichloromethyl)pyridine; 2-Picoline, α,α,α,6-tetrachloro-; Dowco-163; N-Serve nitrogen stabilizer
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes
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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | 119.1 | kcal/mol | Cm | Bessarab, Emel'yanov, et al., 1983 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -648.0 ± 4.7 | kcal/mol | Cm | Bessarab, Emel'yanov, et al., 1983 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°solid | -13.2 ± 0.43 | kcal/mol | Ccr | Tan, Kamaguchi, et al., 1989 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -676.58 ± 0.38 | kcal/mol | Ccr | Tan, Kamaguchi, et al., 1989 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 58.4598 | cal/mol*K | N/A | Tan, Sorai, et al., 1989 | DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
45.256 | 298.15 | Tan, Sorai, et al., 1989 | T = 2 to 400 K.; DH |
45.911 | 297.13 | Tan, Ye, et al., 1987 | T = 78 to 322 K. Value is unsmoothed experimental datum. Cp(c,70 to 330 K) = 146.438 + 57.0749X - 1.31699x2 + 16.2918x3 - 11.3899x4 - 26.7611x5 + 5.59976X6 + 21.3037X7 (J/mol*K).; DH |
Phase change data
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), References, Notes
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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 339.03 | K | N/A | Donnelly, Drewes, et al., 1990 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 337.240 | K | N/A | Tan, Ye, et al., 1987, 2 | Uncertainty assigned by TRC = 0.01 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 14.03 | kcal/mol | V | Bessarab, Emel'yanov, et al., 1983 | ALS |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
4.8518 | 337.242 | N/A | Tan, Sorai, et al., 1989 | DH |
4.85153 | 337.242 | N/A | Tan, Ye, et al., 1987 | DH |
4.85 | 337.8 | AC | Domalski and Hearing, 1996 | Based on data from 13. to 316. K.; AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
14.39 | 337.242 | Tan, Sorai, et al., 1989 | DH |
14.386 | 337.242 | Tan, Ye, et al., 1987 | DH |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, 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
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center, 1998. |
NIST MS number | 291129 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bessarab, Emel'yanov, et al., 1983
Bessarab, N.A.; Emel'yanov, V.L.; Stul, B.Ya.; Platonov, V.A.; Simulin, Yu.N.; Dzhagatspanyan, R.V.,
Vapor pressure of some chlorine derivatives of 2-picoline, Deposited Document, VINITI 2994-83. Chem. Abst. 101:43847c, 1983, 1-7. [all data]
Tan, Kamaguchi, et al., 1989
Tan, Z.; Kamaguchi, A.; Nagano, Y.; Sakiyama, M.,
Standard enthalpy of formation of 2-chloro-6-(trichloromethyl)pyridine,
J. Chem. Thermodyn., 1989, 21, 615-623. [all data]
Tan, Sorai, et al., 1989
Tan, A.-C.; Sorai, M.; Suga, H.,
Low-temperature heat capacity and thermodynamic functions of 2-chloro-6-(trichloromethyl)pyridine,
Sci. China Ser. B, 1989, 32(10), 1194-1207. [all data]
Tan, Ye, et al., 1987
Tan, Z.; Ye, J.; Yin, A.; Chen, S.; Wang, W.,
Heat capacity and thermodynamic properties of 2-chloro-6-(trichloromethyl)pyridine,
Kexue Tongbao, 1987, 32(4), 240-246. [all data]
Donnelly, Drewes, et al., 1990
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W.,
Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry,
Thermochim. Acta, 1990, 167, 2, 155, https://doi.org/10.1016/0040-6031(90)80476-F
. [all data]
Tan, Ye, et al., 1987, 2
Tan, Z.; Ye, J.; Yin, A.; Chen, S.; Wang, W.,
Heat capacity and thermodynamic properties of 2-chloro-6-(trichloromethyl)pyridine,
Kexue Tongbao (Foreign Lang. Ed.), 1987, 32, 240-6. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) Tfus Fusion (melting) point Ttriple Triple point temperature ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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