Decanenitrile
- Formula: C10H19N
- Molecular weight: 153.2646
- IUPAC Standard InChIKey: HBZDPWBWBJMYRY-UHFFFAOYSA-N
- CAS Registry Number: 1975-78-6
- 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: Caprinitrile; Decanonitrile; n-Nonyl cyanide; n-Decanenitrile; 1-Cyanononane; 1-Decanenitrile; Nitrile 10 D; Nonyl cyanide; NSC 6085
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Gas phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -91.6 ± 1.8 | kJ/mol | Ccr | Stridh, Sunner, et al., 1977 | Possible typo error corrected |
Condensed phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -158.4 ± 1.8 | kJ/mol | Ccr | Stridh, Sunner, et al., 1977 | Possible typo error corrected |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -6492.1 ± 1.2 | kJ/mol | Ccr | Stridh, Sunner, et al., 1977 | Possible typo error corrected |
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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 516.9 | K | N/A | Deffet, 1931 | Uncertainty assigned by TRC = 1.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 258.69 | K | N/A | Dorinson and Ralston, 1944 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tfus | 258.69 | K | N/A | Hoerr, Binkerd, et al., 1944 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tfus | 255.25 | K | N/A | Deffet, 1931 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 66.84 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 66.3 ± 0.4 | kJ/mol | GS | Emel'yanenko, Verevkin, et al., 2005 | Based on data from 295. to 326. K.; AC |
ΔvapH° | 66.84 ± 0.37 | kJ/mol | C | Stridh, Sunner, et al., 1977 | Possible typo error corrected; ALS |
ΔvapH° | 66.8 | kJ/mol | N/A | Stridh, Sunner, et al., 1977 | DRB |
ΔvapH° | 66.8 ± 0.4 | kJ/mol | C | Stridh, Sunner, et al., 1977 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
58.0 | 396. | A | Stephenson and Malanowski, 1987 | Based on data from 381. to 519. K.; AC |
57.8 | 396. | EB | Meyer, Renner, et al., 1971 | Based on data from 381. to 431. K.; AC |
54.4 | 446. | EB | Meyer, Renner, et al., 1971 | Based on data from 431. to 518. K.; AC |
IR Spectrum
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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | SRD/NIST Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | EPA-IR VAPOR PHASE LIBRARY |
State | gas |
Mass spectrum (electron ionization)
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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 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, 1994 |
NIST MS number | 133239 |
Gas Chromatography
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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1286. | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP Sil 5 CB | 1276. | Rohloff and Bones, 2005 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min; Tend: 220. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BPX-5 | 1286. | Machiels, van Ruth, et al., 2003 | 60. m/0.32 mm/1. μm, He; Program: 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min) |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP-Wax 52CB | 1677. | Rohloff and Bones, 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min; Tend: 220. C |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 219.15 | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Stridh, Sunner, et al., 1977
Stridh, G.; Sunner, S.; Svensson, C.,
Enthalpies of combustion, vaporization, and formation of some alkanenitriles, and the CH2-increment in the alkanenitrile series,
J. Chem. Thermodyn., 1977, 9, 1005-1010. [all data]
Deffet, 1931
Deffet, L.,
The Freezing Points of Organic Compounds XIII. Compounds With Seven Eight, Nine or Ten Carbon Atoms,
Bull. Soc. Chim. Belg., 1931, 40, 385-402. [all data]
Dorinson and Ralston, 1944
Dorinson, A.; Ralston, A.W.,
Refractive Indices of the Normal Saturated Aliphatic Nitriles. ammonia,
J. Am. Chem. Soc., 1944, 66, 361. [all data]
Hoerr, Binkerd, et al., 1944
Hoerr, C.W.; Binkerd, E.F.; Pool, W.O.; Ralston, A.W.,
Solubilities of High-Molecular-Weight Normal Aliphatic Nitriles.,
J. Org. Chem., 1944, 9, 68-80. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Emel'yanenko, Verevkin, et al., 2005
Emel'yanenko, Vladimir N.; Verevkin, Sergey P.; Koutek, Bohumir; Doubsky, Jan,
Vapour pressures and enthalpies of vapourization of a series of the linear aliphatic nitriles,
The Journal of Chemical Thermodynamics, 2005, 37, 1, 73-81, https://doi.org/10.1016/j.jct.2004.08.004
. [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]
Meyer, Renner, et al., 1971
Meyer, Edwin F.; Renner, Terrence A.; Stec, Kenneth S.,
Cohesive energies in polar organic liquids. II. n-Alkane nitriles and the 1-chloro alkanes,
J. Phys. Chem., 1971, 75, 5, 642-648, https://doi.org/10.1021/j100675a008
. [all data]
Rostad and Pereira, 1986
Rostad, C.E.; Pereira, W.E.,
Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 6, 328-334, https://doi.org/10.1002/jhrc.1240090603
. [all data]
Rohloff and Bones, 2005
Rohloff, J.; Bones, A.M.,
Volatile profiling of Arabidopsis thaliana - Putative olfactory compounds in plant communication,
Phytochemistry, 2005, 66, 16, 1941-1955, https://doi.org/10.1016/j.phytochem.2005.06.021
. [all data]
Machiels, van Ruth, et al., 2003
Machiels, D.; van Ruth, S.M.; Posthumus, M.A.; Istasse, L.,
Gas chromatography-olfactometry analysis of the volatile compounds of two commercial Irish beef meats,
Talanta, 2003, 60, 4, 755-764, https://doi.org/10.1016/S0039-9140(03)00133-4
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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