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Hexanoic acid, ethyl ester

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-528. ± 2.kJ/molCmWiberg and Waldron, 1991Heat of hydrolysis

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafliquid-579.1 ± 1.1kJ/molCmWiberg and Waldron, 1991Heat of hydrolysis

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 - 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tboil441.2KN/AWeast and Grasselli, 1989BS
Tboil440.06KN/ASerijan and Wise, 1951Uncertainty assigned by TRC = 0.3 K; TRC
Tboil439.8KN/AGill and Dexter, 1934Uncertainty assigned by TRC = 1. K; TRC
Tboil439.8KN/AGartenmeister, 1886Uncertainty assigned by TRC = 1.5 K; TRC
Tboil435.KN/AFehling, 1845Uncertainty assigned by TRC = 5. K; TRC
Quantity Value Units Method Reference Comment
Tfus205.51KN/ASerijan and Wise, 1951Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Tc615.2KN/AYoung, 1994Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Deltavap50.6 ± 0.4kJ/molGSVerevkin and Heintz, 1999Based on data from 279. - 309. K.; AC
Deltavap52. ± 1.kJ/molVWiberg and Waldron, 1991Heat of hydrolysis; ALS
Deltavap51.1kJ/molN/AWiberg and Waldron, 1991DRB
Deltavap51.5 ± 1.3kJ/molEBWiberg and Waldron, 1991Based on data from 345. - 379. K.; AC
Deltavap51.72 ± 0.10kJ/molCNilsson and Wadso, 1986ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
50.8 ± 0.4294.GSVerevkin and Heintz, 1999Based on data from 279. - 309. K.; AC
47.4 ± 0.3359.EBWiberg and Waldron, 1991Based on data from 345. - 374. K.; AC
51.8311.AStephenson and Malanowski, 1987Based on data from 396. - 449. K.; AC
48.6315.AStephenson and Malanowski, 1987Based on data from 300. - 376. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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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IR 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 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, 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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Mass spectrum
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Additional Data

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

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Download spectrum in JCAMP-DX format.

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.
NIST MS number 4085

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, 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.

Wiberg and Waldron, 1991
Wiberg, K.B.; Waldron, R.F., Lactones. 2. Enthalpies of hydrolysis, reduction, and formation of the C4-C13 monocyclic lactones. strain energies and conformations, J. Am. Chem. Soc., 1991, 113, 7697-7705. [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]

Serijan and Wise, 1951
Serijan, K.T.; Wise, P.H., Dicyclic hydrocarboms. IV. Synthesis and Physical properties of alpha,alpha - and alpha,omega-diphenyl- and dicyclohexyl- pentanes and hexanes, J. Am. Chem. Soc., 1951, 73, 5191. [all data]

Gill and Dexter, 1934
Gill, A.H.; Dexter, F.P., Ind. Eng. Chem., 1934, 26, 881. [all data]

Gartenmeister, 1886
Gartenmeister, R., Investigation of the physical characterstics of liquid compounds: vi boiling point and specific volume of normal fatty acid esters, Justus Liebigs Ann. Chem., 1886, 233, 249-315. [all data]

Fehling, 1845
Fehling, H., Acids of Coconut Oil, Justus Liebigs Ann. CHem., 1845, 53, 399-411. [all data]

Young, 1994
Young, C.L., Personal Commun. 1994 1994, 1994. [all data]

Verevkin and Heintz, 1999
Verevkin, Sergey P.; Heintz, Andreas, Determination of Vaporization Enthalpies of the Branched Esters from Correlation Gas Chromatography and Transpiration Methods, J. Chem. Eng. Data, 1999, 44, 6, 1240-1244, https://doi.org/10.1021/je990122a . [all data]

Nilsson and Wadso, 1986
Nilsson, S.-O.; Wadso, I., Thermodynamic properties of some mono-, di-, and tri esters. Enthalpies of solution in water at 288.15 to 318.15 K and enthalpies of vaporization and heat capacities at 298.15 K, J. Chem. Thermodyn., 1986, 18, 673-681. [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]


Notes

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