Propanenitrile, 3-(dimethylamino)-

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

Quantity Value Units Method Reference Comment
Δfgas23.1kcal/molN/AGutner, Lebedeva, et al., 1979Value computed using ΔfHliquid° value of 43.6±0.5 kj/mol from Gutner, Lebedeva, et al., 1979 and ΔvapH° value of 53.05 kj/mol from missing citation.; DRB
Δfgas21.6kcal/molCcbVasil'eva and Kotov, 1977hf298 calculated possible error by author; ALS

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
Δfliquid10.4 ± 0.1kcal/molCcbGutner, Lebedeva, et al., 1979Authors hf298_condensed=-43.6±0.5 kJ/mol; ALS
Quantity Value Units Method Reference Comment
Δcliquid-822.3 ± 0.1kcal/molCcbGutner, Lebedeva, et al., 1979Authors hf298_condensed=-43.6±0.5 kJ/mol; ALS
Δcliquid-820.8 ± 0.6kcal/molCcbVasil'eva and Kotov, 1977hf298 calculated possible error by author; ALS
Quantity Value Units Method Reference Comment
liquid63.67cal/mol*KN/ADzhafarov, Karasharli, et al., 1982DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
50.79298.15Dzhafarov, Karasharli, et al., 1982T = 12 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

Quantity Value Units Method Reference Comment
Tboil446.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus228.5KN/AAnonymous, 1954Uncertainty assigned by TRC = 0.6 K; TRC
Tfus228.35KN/AWitschonke, 1954Uncertainty assigned by TRC = 0.35 K; TRC
Tfus228.85KN/AWitschonke, 1954Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Δvap12.68kcal/molVVasil'eva and Kotov, 1977hf298 calculated possible error by author; ALS

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
444.20.987Aldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
11.0345.AStephenson and Malanowski, 1987Based on data from 330. to 445. K.; AC
12.5346.AStephenson and Malanowski, 1987Based on data from 331. to 407. K.; AC
10.5 ± 0.05290. to 317.N/ALebedeva, Gutner, et al., 1984AC

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: Coblentz Society, Inc.

Condensed Phase Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner COBLENTZ SOCIETY
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin WYANDOTTE CHEMICALS CORP., WYANDOTTE, MICHIGAN, USA
Source reference COBLENTZ NO. 1381
Date Not specified, most likely prior to 1970
Name(s) 3-(dimethylamino)propanenitrile
State LIQUID
Instrument Not specified, most likely a prism, grating, or hybrid spectrometer.
Path length 0.003 CM
Resolution 4
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY NIST FROM HARD COPY
Boiling point 172-174 C

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


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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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- 579
NIST MS number 228961

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.

Gutner, Lebedeva, et al., 1979
Gutner, N.M.; Lebedeva, N.D.; Kiseleva, N.N., Enthalpies of combustion and formation of some acyl-substituted diamines, Termodin. Org. Soedin., 1979, 97-98. [all data]

Vasil'eva and Kotov, 1977
Vasil'eva, T.F.; Kotov, V.I., Heats of combustion of dimethyl-substituted amides and dimethylalkylamines, Vses. Konf. Kalorim. Rasshir. Tezisy Dokl. 7th, 1977, 1, 102-106. [all data]

Dzhafarov, Karasharli, et al., 1982
Dzhafarov, O.I.; Karasharli, K.A.; Kuliev, A.M., Study of the real heat capacity of β-dimethylaminopropionitrile in the range 12-300K, Azerb. Khim. Zhur., 1982, No.2, 92-95. [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]

Anonymous, 1954
Anonymous, R., , Am. Pet. Inst. Res. Proj. 45, Tech. Rep. 13, Ohio State Univ., 1954. [all data]

Witschonke, 1954
Witschonke, C.R., Freezing point and purity data for some organic compounds, Anal. Chem., 1954, 26, 562-4. [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]

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]

Lebedeva, Gutner, et al., 1984
Lebedeva, N.V.; Gutner, N.M.; Katin, Yu.A.; Kozlova, N.M.; Kiseleva, N.N.; Makhina, E.F.; Dobychin, S.L., Russ. J. Phys. Chem., 1984, 57, 2118. [all data]


Notes

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