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Ethane, isothiocyanato-

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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 by: Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference
25.41290.Kurnakov and Voskresenskaya, 1936

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:
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Deltavap9.51kcal/molN/ABauer and Burschkies, 2006Based on data from 283. - 323. K. See also Boublik, Fried, et al., 1984.; AC
Deltavap9.61kcal/molAStephenson and Malanowski, 1987Based on data from 283. - 404. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
283. - 323.3.957641431.598-50.463Bauer and Burschkies, 1935Coefficents calculated by NIST from author's data.

Gas phase ion energetics 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
9.14 ± 0.03PIWatanabe, Nakayama, et al., 1962RDSH
9.10 ± 0.15EIShenkel, Hobrock, et al., 1962RDSH
9.12 ± 0.05PENeijzen and DeLange, 1980Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHNS+11.38 ± 0.15C2H4EIShenkel, Hobrock, et al., 1962RDSH
CHS+15.2 ± 0.5?EIHobrock, Shenkel, et al., 1963RDSH
CH2NS+12.0 ± 0.3?EIHobrock, Shenkel, et al., 1963RDSH
CH3+19.6 ± 0.5?EIHobrock, Shenkel, et al., 1963RDSH
CNS+14.6 ± 0.4?EIHobrock, Shenkel, et al., 1963RDSH
CS+16.1 ± 0.5?EIHobrock, Shenkel, et al., 1963RDSH
C2HNS+14.0 ± 0.2?EIHobrock, Shenkel, et al., 1963RDSH
C2H2+18.1 ± 0.2?EIHobrock, Shenkel, et al., 1963RDSH
C2H2NS+12.5 ± 0.2CH3EIHobrock, Shenkel, et al., 1963RDSH
C2H3+15.6 ± 0.3?EIHobrock, Shenkel, et al., 1963RDSH
C2H5+12.9 ± 0.2?EIHobrock, Shenkel, et al., 1963RDSH
C2NS+16.3 ± 0.2?EIHobrock, Shenkel, et al., 1963RDSH

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 COPYRIGHT (C) 1988 by COBLENTZ SOCIETY INC.
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin DOW CHEMICAL COMPANY
Source reference COBLENTZ NO. 5630
Date 1967/07/14
Name(s) 1-isothiocyanatoethane
State SOLUTION (10% CCl4 FOR 3800-1340, 10% CS2 FOR 1340-400 CM-1)
Instrument DOW KBr FOREPRISM-GRATING
Instrument parameters BLAZED AT 3.5, 12.0, 20.0 AND CHANGED AT 5.0, 7.5, 14.9 MICRON
Path length 0.011 CM, 0.010 CM
Resolution 2
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY

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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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 19457

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, Gas phase ion energetics 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.

Kurnakov and Voskresenskaya, 1936
Kurnakov, N.S.; Voskresenskaya, N.K., Calorimetry of liquid binary systems, Izv. Akad. Nauk SSSR, Otdel. Mat. i Estestv. Nauk. Ser. Khim, 1936, 1936, 439-461. [all data]

Bauer and Burschkies, 2006
Bauer, Hugo; Burschkies, Karl, Sättigungsdrucke einiger Senföle und Sulfide, Ber. dtsch. Chem. Ges. A/B, 2006, 68, 6, 1238-1243, https://doi.org/10.1002/cber.19350680645 . [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]

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]

Bauer and Burschkies, 1935
Bauer, H.; Burschkies, K., Sattigungsdrucke einiger Senfole und Sulfide, Ber. Dtsch. Chem. Ges., 1935, 68, 6, 1238-1243, https://doi.org/10.1002/cber.19350680645 . [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Shenkel, Hobrock, et al., 1962
Shenkel, R.C.; Hobrock, B.G.; Kiser, R.W., The ionization potential of (iso)thiocyanic acid, J. Phys. Chem., 1962, 66, 2074. [all data]

Neijzen and DeLange, 1980
Neijzen, B.J.M.; DeLange, C.A., Photoelectron spectroscopy of some thiocyanates, isocyanates and isothiocyanates, J. Electron Spectrosc. Relat. Phenom., 1980, 18, 179. [all data]

Hobrock, Shenkel, et al., 1963
Hobrock, B.G.; Shenkel, R.C.; Kiser, R.W., Singly and doubly-charged ions from methyl and ethyl isothiocyanates by electron impact, J. Phys. Chem., 1963, 67, 1684. [all data]


Notes

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