3-Nonanone
- Formula: C9H18O
- Molecular weight: 142.2386
- IUPAC Standard InChIKey: IYTXKIXETAELAV-UHFFFAOYSA-N
- CAS Registry Number: 925-78-0
- 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: n-Hexyl ethyl ketone; Ethyl hexyl ketone; Ethyl n-hexyl ketone; nonan-3-one
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Phase change data
Go To: Top, IR Spectrum, 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:
BS - Robert L. Brown and Stephen E. Stein
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 | 460.7 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 460. to 463. | K | N/A | Frinton Laboratories Inc., 1986 | BS |
Tboil | 459. | K | N/A | Pickard and Kenyon, 1913 | Uncertainty assigned by TRC = 4. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 265. | K | N/A | Wagner, 1891 | Uncertainty assigned by TRC = 4. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 648.1 | K | N/A | Pulliam, Gude, et al., 1994 | Uncertainty assigned by TRC = 0.25 K; by the sealed ampule method; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 1.79 | mol/l | N/A | Pulliam, Gude, et al., 1994 | Uncertainty assigned by TRC = 0.02 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 56.6 ± 0.6 | kJ/mol | GCC | Saluja, Peacock, et al., 1979 | AC |
ΔvapH° | 56.4 ± 0.1 | kJ/mol | C | Sellers, 1977 | AC |
ΔvapH° | 56.4 | kJ/mol | N/A | Ambrose, Ellender, et al., 1975 | Based on data from 342. to 545. K.; AC |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
359.2 | 0.027 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
55.6 | 300. | N/A | Espinosa Diaz, Guetachew, et al., 1999 | Based on data from 285. to 454. K.; AC |
52.6 | 350. | A | Stephenson and Malanowski, 1987 | Based on data from 335. to 468. K.; AC |
52.7 | 348. | N/A | Meyer and Wagner, 1966 | Based on data from 335. to 437. K.; AC |
IR Spectrum
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 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 | NIST Standard Reference Data Program Collection (C) 2018 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 |
State | gas |
Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, IR Spectrum, 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 | Japan AIST/NIMC Database- Spectrum MS-NW-3983 |
NIST MS number | 232159 |
References
Go To: Top, Phase change data, IR Spectrum, 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.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Frinton Laboratories Inc., 1986
Frinton Laboratories Inc.,
Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [all data]
Pickard and Kenyon, 1913
Pickard, R.H.; Kenyon, J.,
Investigations on the dependence of rotatory power on chemical constitution: IV the rotations of the normal secondary alcohols of the formula c(2)h(5).ch(oh).r,
J. Chem. Soc., 1913, 103, 1923-59. [all data]
Wagner, 1891
Wagner, G.,
J. Prakt. Chem., 1891, 44, 257. [all data]
Pulliam, Gude, et al., 1994
Pulliam, M.K.; Gude, M.T.; Teja, A.S.,
The Critical Properties of Twelve Isomeric n-Alkanones with Six to Nine Carbon Atoms,
Experimental Results for DIPPR 1990-91 Projects on Phase Equilibria and Pure Component Properties, 1994, 1994, DIPPR Data Ser. No. 2, p. 184-87. [all data]
Saluja, Peacock, et al., 1979
Saluja, P.P.S.; Peacock, L.A.; Fuchs, R.,
Enthalpies of interaction of aliphatic ketones with polar and nonpolar solvents,
J. Am. Chem. Soc., 1979, 101, 1958-1962. [all data]
Sellers, 1977
Sellers, P.,
Enthalpies of combustion and formation of 2-nonanone and 2-dodecanone,
J. Chem. Thermodyn., 1977, 9, 139-142. [all data]
Ambrose, Ellender, et al., 1975
Ambrose, D.; Ellender, J.H.; Lees, E.B.; Sprake, C.H.S.; Townsend, R.,
Thermodynamic properties of organic oxygen compounds XXXVIII. Vapour pressures of some aliphatic ketones,
The Journal of Chemical Thermodynamics, 1975, 7, 5, 453-472, https://doi.org/10.1016/0021-9614(75)90275-X
. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Espinosa Diaz, Guetachew, et al., 1999
Espinosa Diaz, M.A.; Guetachew, T.; Landy, P.; Jose, J.; Voilley, A.,
Experimental and estimated saturated vapour pressures of aroma compounds,
Fluid Phase Equilibria, 1999, 157, 2, 257-270, https://doi.org/10.1016/S0378-3812(99)00016-3
. [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 and Wagner, 1966
Meyer, Edwin F.; Wagner, Robert E.,
Cohesive Energies in Polar Organic Liquids,
J. Phys. Chem., 1966, 70, 10, 3162-3168, https://doi.org/10.1021/j100882a025
. [all data]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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