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Formic acid, propyl ester

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Condensed phase thermochemistry data

Go To: Top, 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 as indicated in comments:
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafsolid-500. ± 42.kJ/molCcbDelafontaine, Sabbah, et al., 1973%hf298 calculated possible error by the authors; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-2217. ± 42.kJ/molCcbDelafontaine, Sabbah, et al., 1973%hf298 calculated possible error by the authors; Corresponding «DELTA»fsolid = -500. 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
172.10298.15Pintos, Bravo, et al., 1988DH
171.42298.15Jimenez, Romani, et al., 1986DH
172.07298.15Baluja, Bravo, et al., 1985DH

Phase change data

Go To: Top, Condensed phase thermochemistry 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil354.1 ± 0.3KAVGN/AAverage of 17 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus180.3KN/ATimmermans, 1922Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Tc538.KN/AMajer and Svoboda, 1985 
Tc538.00KN/AYoung, 1910Uncertainty assigned by TRC = 1. K; TRC
Tc538.00KN/AYoung and Thomas, 1893Uncertainty assigned by TRC = 1. K; TRC
Tc533.7KN/ADe Heen, 1888Uncertainty assigned by TRC = 4. K; TRC
Tc534.0KN/ANadezhdin, 1887Uncertainty assigned by TRC = 4. K; TRC
Quantity Value Units Method Reference Comment
Pc40.61barN/AYoung, 1910Uncertainty assigned by TRC = 0.6079 bar; TRC
Pc40.610barN/AYoung and Thomas, 1893Uncertainty assigned by TRC = 0.40 bar; TRC
Pc43.30barN/ANadezhdin, 1887Uncertainty assigned by TRC = 3.0398 bar; TRC
Quantity Value Units Method Reference Comment
rhoc3.511mol/lN/AYoung, 1910Uncertainty assigned by TRC = 0.06 mol/l; TRC
rhoc3.513mol/lN/AYoung and Thomas, 1893Uncertainty assigned by TRC = 0.05 mol/l; TRC
rhoc3.46mol/lN/ANadezhdin, 1887Uncertainty assigned by TRC = 0.06 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap37.61kJ/molN/AMajer and Svoboda, 1985 
Deltavap37.5 ± 0.1kJ/molCSvoboda, Uchytilová, et al., 1980AC
Deltavap32.5 ± 0.04kJ/molVMathews, 1926ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
33.61354.N/AMajer and Svoboda, 1985 
35.3317.N/AFárková and Wichterle, 1993Based on data from 302. - 353. K.; AC
32.7369.AStephenson and Malanowski, 1987Based on data from 354. - 518. K.; AC
36.8245.AStephenson and Malanowski, 1987Based on data from 230. - 355. K.; AC
36.5 ± 0.1313.CSvoboda, Uchytilová, et al., 1980AC
35.8 ± 0.1326.CCihlár, Hynek, et al., 1976AC
35.4 ± 0.1331.CCihlár, Hynek, et al., 1976AC
34.4 ± 0.1344.CCihlár, Hynek, et al., 1976AC
33.8 ± 0.1351.CCihlár, Hynek, et al., 1976AC
33.5 ± 0.1355.CCihlár, Hynek, et al., 1976AC
32.9 ± 0.1363.CCihlár, Hynek, et al., 1976AC
35.6314.N/ANelson, 1928Based on data from 299. - 355. K. See also Boublik, Fried, et al., 1984.; AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kJ/mol) beta Tc (K) Reference Comment
298. - 363.56.410.2992538.Majer and Svoboda, 1985 

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 Comment
299.4 - 355.54.033951159.609-65.815Nelson, 1928Coefficents calculated by NIST from author's data.

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, 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, 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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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- 35
NIST MS number 228296

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, 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.

Delafontaine, Sabbah, et al., 1973
Delafontaine, J.; Sabbah, R.; Laffitte, M., Mesures microcalorimetriques des enthalpies de reference de formation (a l'etat condense) de composes volatils - mise au point de la technique, Z. Phys. Chem. (Neue Folge), 1973, 84, 157-172. [all data]

Pintos, Bravo, et al., 1988
Pintos, M.; Bravo, R.; Baluja, M.C.; Paz Andrade, M.I.; Roux-Desgranges, G.; Grolier, J.-P.E., Can. J. Chem., 1988, 1179. [all data]

Jimenez, Romani, et al., 1986
Jimenez, E.; Romani, L.; Paz Andrade, M.I.; Roux-Desgranges, G.; Grolier, J.-P.E., Molar excess heat capacities and volumes for mixtures of alkanoates with cyclohexane at 25°C, J. Solution Chem., 1986, 15(11), 879-890. [all data]

Baluja, Bravo, et al., 1985
Baluja, M.C.; Bravo, R.; Pintos, M.; Paz Andrade, M.I.; Roux-Desgranges, G.; Grolier, J.-P.E., Unusual dependence on concentration of the excess heat capacities of ester solutions in alkanes, Calorim. Anal. Therm., 1985, 16, 138-144. [all data]

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

Young, 1910
Young, S., The Internal Heat of Vaporization constants of thirty pure substances, Sci. Proc. R. Dublin Soc., 1910, 12, 374. [all data]

Young and Thomas, 1893
Young, S.; Thomas, G.L., The vapour pressures, molecular volumes, and critical constants of ten of the lower esters, J. Chem. Soc., 1893, 63, 1191. [all data]

De Heen, 1888
De Heen, P., Research on Physics and Theory of Liquids, Experimental Part Paris, 1888. [all data]

Nadezhdin, 1887
Nadezhdin, A., Rep. Phys., 1887, 23, 708. [all data]

Svoboda, Uchytilová, et al., 1980
Svoboda, Václav; Uchytilová, Vera; Majer, Vladimír; Pick, Jirí, Heats of vaporization of alkyl esters of formic, acetic and propionic acids, Collect. Czech. Chem. Commun., 1980, 45, 12, 3233-3240, https://doi.org/10.1135/cccc19803233 . [all data]

Mathews, 1926
Mathews, J.H., The accurate measurement of heats of vaporization of liquids, J. Am. Chem. Soc., 1926, 48, 562-576. [all data]

Fárková and Wichterle, 1993
Fárková, J.; Wichterle, I., Vapour pressures of some ethyl and propyl esters of fatty acids, Fluid Phase Equilibria, 1993, 90, 1, 143-148, https://doi.org/10.1016/0378-3812(93)85009-B . [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]

Cihlár, Hynek, et al., 1976
Cihlár, J.; Hynek, V.; Svoboda, V.; Holub, R., Heats of vaporization of alkyl esters of formic acid, Collect. Czech. Chem. Commun., 1976, 41, 1, 1-6, https://doi.org/10.1135/cccc19760001 . [all data]

Nelson, 1928
Nelson, O.A., Vapor Pressures of Fumigants: II---Methyl, Ethyl, n-Propyl, Isopropyl, n-Butyl, Secondary Butyl and Isobutyl Formates 1, Ind. Eng. Chem., 1928, 20, 12, 1382-1384, https://doi.org/10.1021/ie50228a035 . [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]


Notes

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