Octanoic acid, ethyl ester

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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
Δfgas-570. ± 2.kJ/molCmWiberg and Waldron, 1991Heat of hydrolysis

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
Δfliquid-629.5 ± 1.1kJ/molCmWiberg and Waldron, 1991Heat of hydrolysis
Quantity Value Units Method Reference Comment
Δcliquid-6130. ± 1.kJ/molCcbFreedman, Bagby, et al., 1989Corresponding Δfliquid = -664.0 kJ/mol (simple calculation by NIST; no Washburn corrections)

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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil480.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil479.0KN/AGartenmeister, 1886Uncertainty assigned by TRC = 2. K; TRC
Tboil487.KN/AFehling, 1845Uncertainty assigned by TRC = 5. K; TRC
Quantity Value Units Method Reference Comment
Tfus228.40KN/ATimmermans, 1922Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tc649.KN/AYoung, 1994Uncertainty assigned by TRC = 3. K; TRC
Tc658.71KN/ABrown, 1906Uncertainty assigned by TRC = 6. K; TRC
Quantity Value Units Method Reference Comment
Δvap59. ± 1.kJ/molVWiberg and Waldron, 1991Heat of hydrolysis; ALS
Δvap59.5kJ/molN/AWiberg and Waldron, 1991DRB
Δvap59.5 ± 1.3kJ/molEBWiberg and Waldron, 1991Based on data from 382. to 412. K.; AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
52.5 ± 0.2397.EBWiberg and Waldron, 1991Based on data from 382. to 412. K.; AC
53.2345.AStephenson and Malanowski, 1987Based on data from 330. to 480. 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

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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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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

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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- 440
NIST MS number 229103

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]

Freedman, Bagby, et al., 1989
Freedman, B.; Bagby, M.O.; Khoury, H., Correlation of heats of combustion with empirical formulas for fatty alcohols, J. Am. Oil Chem. Soc., 1989, 66, 595-596. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]

Timmermans, 1922
Timmermans, J., Investigation of the Freezing Point of Organic Substances VII, Bull. Soc. Chim. Belg., 1922, 31, 389. [all data]

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

Brown, 1906
Brown, J.C., The critical temperature and value of ml/theta of some carbon compounds, J. Chem. Soc., Trans., 1906, 89, 311. [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