Nitric acid, 1-methylethyl ester

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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 - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid-230. ± 1.kJ/molCcbFairbrother, Skinner, et al., 1957ALS
Δfliquid-226.0 ± 2.0kJ/molCcbTavernier and Lamouroux, 1957Reanalyzed by Cox and Pilcher, 1970, Original value = -222.0 kJ/mol; Author's hf298_condensed=-54.619 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Δcliquid-1951. ± 1.kJ/molCcbFairbrother, Skinner, et al., 1957ALS
Δcliquid-1954.9 ± 2.0kJ/molCcbTavernier and Lamouroux, 1957Reanalyzed by Cox and Pilcher, 1970, Original value = -1958.97 kJ/mol; Author's hf298_condensed=-54.619 kcal/mol; ALS
Quantity Value Units Method Reference Comment
liquid263.2J/mol*KN/ALushnikov, Rubtsov, et al., 1988DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
200.7350.Bunyan, 1988DH
191.1298.15Lushnikov, Rubtsov, et al., 1988T = 14 to 300 K.; 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 - 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
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil373.7KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Ttriple190.81KN/ALushnikov, Rubstov, et al., 1988Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Δvap38.79kJ/molVGray and Pratt, 1957ALS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
39.7288.AStephenson and Malanowski, 1987Based on data from 273. to 343. K. See also Gray and Pratt, 1957, 2 and Dykyj, 1970.; 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 Comment
273. to 343.3.544961018.568-89.622Gray and Pratt, 1957, 3Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
10.010190.81Lushnikov, Rubtsov, et al., 1988DH
10.1190.9Lushnikov, Rubstov, et al., 1988AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
52.43190.81Lushnikov, Rubtsov, et al., 1988DH

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:


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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

Isopropyl Alcohol + Nitric acid = Nitric acid, 1-methylethyl ester + Water

By formula: C3H8O + HNO3 = C3H7NO3 + H2O

Quantity Value Units Method Reference Comment
Δr-23.4kJ/molEqkRubtsov, 1986liquid phase

Mass spectrum (electron ionization)

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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

Spectrum

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Mass spectrum
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Additional Data

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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-8522
NIST MS number 238067

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.


Gas Chromatography

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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

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-1663.8Helmig, Pollock, et al., 199630. m/0.25 mm/1. μm, 6. K/min; Tstart: -50. C; Tend: 180. C
CapillaryDB-5684.3Helmig, Pollock, et al., 199660. m/0.33 mm/0.25 μm, 6. K/min; Tstart: -50. C; Tend: 180. C

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillarySPB-1664.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillarySPB-1664.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillarySPB-1693.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: not specified

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Fairbrother, Skinner, et al., 1957
Fairbrother, D.M.; Skinner, H.A.; Evans, F.W., The heats of combustion of organic compounds of nitrogen, Trans. Faraday Soc., 1957, 53, 779-783. [all data]

Tavernier and Lamouroux, 1957
Tavernier, P.; Lamouroux, M., Determinations calorimetriques relatives a vingt et une substances organiques, Mem. Poudres, 1957, 39, 335-356. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Lushnikov, Rubtsov, et al., 1988
Lushnikov, V.N.; Rubtsov, Yu.I.; Eremenko, L.T.; Korolev, A.M., Specific heat and standard entropy of isopropyl nitrate, Zhur. Fiz. Khim., 1988, 62, 1209-1214. [all data]

Bunyan, 1988
Bunyan, P.F., A technique to measure the specific heat of reactive materials by heat flow calorimetry, Thermochim. Acta, 1988, 130, 335-344. [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]

Lushnikov, Rubstov, et al., 1988
Lushnikov, V.N.; Rubstov, Y.I.; Dremenko, L.T.; Korolev, A.M., Zh. Fiz. Khim., 1988, 62, 1209. [all data]

Gray and Pratt, 1957
Gray, P.; Pratt, M.W.T., The latent heats of vaporization of the alkyl nitrates, J. Chem. Soc., 1957, 2163-21. [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]

Gray and Pratt, 1957, 2
Gray, Peter; Pratt, M.W.T., 414. The latent heats of vaporization of the alkyl nitrates, J. Chem. Soc., 1957, 2163, https://doi.org/10.1039/jr9570002163 . [all data]

Dykyj, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [all data]

Gray and Pratt, 1957, 3
Gray, P.; Pratt, M.W.T., The Latent Heats of Vaporization of the Alkyl Nitrates, J. Chem. Soc., 1957, 2163-2168, https://doi.org/10.1039/jr9570002163 . [all data]

Rubtsov, 1986
Rubtsov, Yu.I., Thermodynamic calculation of equilibrium in nitration of alcohols, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1986, 19-22. [all data]

Helmig, Pollock, et al., 1996
Helmig, D.; Pollock, W.; Greenberg, J.; Zimmerman, P., Gas chromatography mass spectrometry analysis of volatile organic trace gases at Mauna Loa Observatory, Hawaii, J. Geophys. Res., 1996, 101, D9, 14697-14710, https://doi.org/10.1029/96JD00212 . [all data]

Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]

Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J., Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning, Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111 . [all data]


Notes

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