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1-Nonanol

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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 as indicated in comments:
DRB - D.R. Burgess
ALS - H.Y. Afeefy, J.F. Liebman, and S.E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-377. ± 9.kJ/molAVGN/AAverage of 7 values; Individual data points

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 as indicated in comments:
ALS - H.Y. Afeefy, J.F. Liebman, and S.E. Stein
DRB - D.R. Burgess
DH - E.S. Domalski and E.D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-453.6 ± 0.6kJ/molCcbMosselman and Dekker, 1975ALS
Deltafliquid-459.2 ± 1.2kJ/molCcbChao and Rossini, 1965see Rossini, 1934; ALS
Deltafliquid-460.5 ± 3.0kJ/molCcbGreen, 1960ALS
Deltafliquid-460.4 ± 3.0kJ/molCcbVerkade and Coops, 1927estimated uncertainty; DRB
Quantity Value Units Method Reference Comment
Deltacliquid-5946.3 ± 0.6kJ/molCcbMosselman and Dekker, 1975Corresponding «DELTA»fliquid = -453.6 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-5947.0 ± 1.0kJ/molCcbHayes, 1971Corresponding «DELTA»fliquid = -452.92 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-5940.8 ± 1.0kJ/molCcbChao and Rossini, 1965see Rossini, 1934; Corresponding «DELTA»fliquid = -459.07 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-5939.5 ± 3.0kJ/molCcbGreen, 1960Corresponding «DELTA»fliquid = -460.41 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-5939.48kJ/molCcbVerkade and Coops, 1927Corrected for 298 and 1 atm.; Corresponding «DELTA»fliquid = -460.41 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
356.3303.1Naziev, Bashirov, et al., 1986T = 303 to 474 K. p = 0.1 MPa. Unsmoothed experimental datum given as 2.470 kJ/kg*K.; DH
342.9304.17Griigo'ev, Yanin, et al., 1979T = 304 to 464 K. p = 0.98 bar.; DH

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:
BS - R.L. Brown and S.E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, M. Frenkel director
AC - W.E. Acree, Jr., J.S. Chickos
ALS - H.Y. Afeefy, J.F. Liebman, and S.E. Stein
DRB - D.R. Burgess

Quantity Value Units Method Reference Comment
Tboil485. ± 9.KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Tc672. ± 8.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Pc25.3 ± 0.5barN/AGude and Teja, 1995 
Pc25.10barN/AQuadri, Khilar, et al., 1991Uncertainty assigned by TRC = 0.60 bar; TRC
Pc25.46barN/ARosenthal and Teja, 1990Uncertainty assigned by TRC = 0.20 bar; TRC
Pc25.46barN/ARosenthal and Teja, 1989Uncertainty assigned by TRC = 0.20 bar; TRC
Quantity Value Units Method Reference Comment
Vc0.572l/molN/AGude and Teja, 1995 
Quantity Value Units Method Reference Comment
rhoc1.75 ± 0.05mol/lN/AGude and Teja, 1995 
rhoc1.83mol/lN/ATeja, Lee, et al., 1989TRC
rhoc1.75mol/lN/AAnselme and Teja, 1988Uncertainty assigned by TRC = 0.04 mol/l; TRC
rhoc1.84mol/lN/AEfremov, 1966Uncertainty assigned by TRC = 0.02 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap77. ± 6.kJ/molAVGN/AAverage of 9 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
65.0383.AStephenson and Malanowski, 1987Based on data from 368. - 500. K.; AC
62.9396.AStephenson and Malanowski, 1987Based on data from 381. - 495. K.; AC
59.7440.EBHon, Singh, et al., 1976Based on data from 425. - 494. K.; AC
64.5383.N/AWilhoit and Zwolinski, 1973Based on data from 368. - 487. K.; AC
65.5380.DTAKemme and Kreps, 1969Based on data from 365. - 487. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference
364.8 - 486.83.961571373.417-139.182Kemme and Kreps, 1969

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Reaction 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: J.E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C9H19O- + Hydrogen cation = 1-Nonanol

By formula: C9H19O- + H+ = C9H20O

Quantity Value Units Method Reference Comment
Deltar1567. ± 8.8kJ/molG+TSHiggins and Bartmess, 1998gas phase
Deltar1561. ± 13.kJ/molCIDCHaas and Harrison, 1993gas phase; Kinetic method gives energy-dependent results.
Deltar1553. ± 12.kJ/molG+TSBoand, Houriet, et al., 1983gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Deltar1540. ± 8.4kJ/molIMREHiggins and Bartmess, 1998gas phase
Deltar1534. ± 13.kJ/molH-TSHaas and Harrison, 1993gas phase; Kinetic method gives energy-dependent results.
Deltar1525. ± 11.kJ/molCIDCBoand, Houriet, et al., 1983gas phase; value altered from reference due to change in acidity scale

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 Spec Data Center, S.E. Stein, director

Gas Phase Spectrum

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IR spectrum
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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 Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 Spec Data Center, S.E. Stein, director

Spectrum

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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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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-3672
NIST MS number 229864

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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.

Mosselman and Dekker, 1975
Mosselman, C.; Dekker, H., Enthalpies of formation of n-alkan-1-ols, J. Chem. Soc. Faraday Trans. 1, 1975, 417-424. [all data]

Chao and Rossini, 1965
Chao, J.; Rossini, F.D., Heats of combustion, formation, and isomerization of nineteen alkanols, J. Chem. Eng. Data, 1965, 10, 374-379. [all data]

Rossini, 1934
Rossini, F.D., Heats of combustion and of formation of the normal aliphatic alcohols in the gaseous and liquid states, and the energies of their atomic linkages, J. Res. NBS, 1934, 13, 189-197. [all data]

Green, 1960
Green, J.H.S., Revision of the values of the heats of formation of normal alcohols, Chem. Ind. (London), 1960, 1215-1216. [all data]

Verkade and Coops, 1927
Verkade, P.E.; Coops, J., Jr., Calorimetric researches XIV. Heats of combustion of successive members of homologous series: the normal primary aliphatic alcohols, Recl. Trav. Chim. Pays-Bas, 1927, 46, 903-917. [all data]

Hayes, 1971
Hayes, C.W., Bomb calorimetric studies on normal alkan-1-ols, steroregular polymethylmethacrylates, «alpha»-olefinic polymers, trioxane and oxygenated polymers, Diss. Abs., 1971, 31, 5903-5904. [all data]

Naziev, Bashirov, et al., 1986
Naziev, Ya.M.; Bashirov, M.M.; Badalov, Yu.A., Experimental study of isobaric specific heat of higher alcohols at high pressures, Inzh.-Fiz. Zhur., 1986, 51, 998-1004. [all data]

Griigo'ev, Yanin, et al., 1979
Griigo'ev, B.A.; Yanin, G.S.; Rastorguev, Yu.L.; Thermophysical parameters of alcohols, Tr. GIAP, 54, 1979, 57-64. [all data]

Gude and Teja, 1995
Gude, M.; Teja, A.S., Vapor-Liquid Critical Properties of Elements and Compounds. 4. Aliphatic Alkanols, J. Chem. Eng. Data, 1995, 40, 1025-1036. [all data]

Quadri, Khilar, et al., 1991
Quadri, S.K.; Khilar, K.C.; Kudchadker, A.P.; Patni, M.J., Measurement of the critical temperatures and critical pressures of some thermally stable or mildly unstable alkanols, J. Chem. Thermodyn., 1991, 23, 67-76. [all data]

Rosenthal and Teja, 1990
Rosenthal, D.J.; Teja, A.S., The Critical Pressures and temperatures of Isomeric Alkanols, Ind. Eng. Chem. to be published 1990 1990, 1990. [all data]

Rosenthal and Teja, 1989
Rosenthal, D.J.; Teja, A.S., Critical pressures and temperatures of isomeric alkanols, Ind. Eng. Chem. Res., 1989, 28, 1693. [all data]

Teja, Lee, et al., 1989
Teja, A.S.; Lee, R.J.; Rosenthal, D.J.; Anselme, M.J., Correlation of the Critical Properties of Alkanes and Alkanols in 5th IUPAC Conference on Alkanes and AlkanolsGradisca, 1989. [all data]

Anselme and Teja, 1988
Anselme, M.J.; Teja, A.S., Critical Temperatures and Densities of Isomeric Alkanols with Six to Ten Carbon Atoms, Fluid Phase Equilib., 1988, 40, 127-34. [all data]

Efremov, 1966
Efremov, Yu.V., Density, Surface Tension, Saturated Vapor Pressurs and Critical Parameters of Alcohols, Zh. Fiz. Khim., 1966, 40, 1240. [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]

Hon, Singh, et al., 1976
Hon, Huynh C.; Singh, Rakesh P.; Kudchadker, Arvind P., Vapor pressure-boiling point measurements of five organic substances by twin ebulliometry, J. Chem. Eng. Data, 1976, 21, 4, 430-431, https://doi.org/10.1021/je60071a011 . [all data]

Wilhoit and Zwolinski, 1973
Wilhoit, R.C.; Zwolinski, B.J., Physical and thermodynamic properties of aliphatic alcohols, J. Phys. Chem. Ref. Data Suppl., 1973, 1, 2, 1. [all data]

Kemme and Kreps, 1969
Kemme, Herbert R.; Kreps, Saul I., Vapor pressure of primary n-alkyl chlorides and alcohols, J. Chem. Eng. Data, 1969, 14, 1, 98-102, https://doi.org/10.1021/je60040a011 . [all data]

Higgins and Bartmess, 1998
Higgins, P.R.; Bartmess, J.E., The Gas Phase Acidities of Long Chain Alcohols., Int. J. Mass Spectrom., 1998, 175, 1-2, 71-79, https://doi.org/10.1016/S0168-1176(98)00125-6 . [all data]

Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G., The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols, Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W . [all data]

Boand, Houriet, et al., 1983
Boand, G.; Houriet, R.; Baumann, T., The gas phase acidity of aliphatic alcohols, J. Am. Chem. Soc., 1983, 105, 2203. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References