Dichlorodifluoromethane

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

Quantity Value Units Method Reference Comment
Δfgas-117.50kcal/molReviewChase, 1998Data last reviewed in June, 1970
Δfgas-114.1 ± 1.3kcal/molCmKolesov, Zenkov, et al., 1963Reanalyzed by Cox and Pilcher, 1970, Original value = -112.1 ± 1.2 kcal/mol; Reaction with Na; ALS
Δfgas-114.0 ± 3.0kcal/molCcbWartenberg and Schiefer, 1955Reanalyzed by Cox and Pilcher, 1970, Original value = -113. kcal/mol; ALS
Δfgas-112. ± 2.kcal/molCmKirkbride and Davidson, 1954Von Wartenberg method; ALS
Quantity Value Units Method Reference Comment
gas,1 bar71.914cal/mol*KReviewChase, 1998Data last reviewed in June, 1970

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 1100.1100. to 6000.
A 11.4747025.66049
B 33.265010.096760
C -29.71621-0.019606
D 9.5008300.001360
E -0.151490-1.364100
F -122.6650-129.0030
G 76.2674097.14771
H -117.5000-117.5000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1970 Data last reviewed in June, 1970

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 Comment
30.31290.Buffington and Fleischer, 1931Heat capacity measured at 230 K and 290 K using two different methods. Cp at 230 K is 106.3 J/mol*K.

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

Quantity Value Units Method Reference Comment
Tboil243.3KN/APCR Inc., 1990BS
Tboil243.KN/AKrauss and Stephan, 1989Uncertainty assigned by TRC = 1.5 K; TRC
Tboil243.4KN/AStreng, 1971Uncertainty assigned by TRC = 0.3 K; TRC
Tboil242.KN/AAwbery and Griffiths, 1936Uncertainty assigned by TRC = 5. K; TRC
Tboil245.35KN/AThornton, Burg, et al., 1933Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Tfus115.2KN/AStreng, 1971Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Ttriple116.100KN/ABlanke and Weiss, 1991Uncertainty assigned by TRC = 0.01 K; on ITS-90; TRC
Ttriple115.15KN/AKrauss and Stephan, 1989Uncertainty assigned by TRC = 0.1 K; TRC
Ttriple390.35KN/AAltunin, Geller, et al., 1987Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Ptriple0.000099atmN/ABlanke and Weiss, 1991Uncertainty assigned by TRC = 0.00006 atm; TRC
Quantity Value Units Method Reference Comment
Tc385.15KN/AKrauss and Stephan, 1989Uncertainty assigned by TRC = 0.3 K; TRC
Tc385.15KN/AAltunin, Geller, et al., 1987Uncertainty assigned by TRC = 0.2 K; TRC
Tc385.01KN/AOkada, Uematsu, et al., 1986Uncertainty assigned by TRC = 0.03 K; Tc selected from literature to correlate density meas.; TRC
Tc385.01KN/AHigashi, Okazaki, et al., 1984Uncertainty assigned by TRC = 0.05 K; TRC
Tc302.3KN/AMichels, Wassenaar, et al., 1966Uncertainty assigned by TRC = 0.06 K; TRC
Quantity Value Units Method Reference Comment
Pc40.77atmN/AKrauss and Stephan, 1989Uncertainty assigned by TRC = 0.05 atm; TRC
Pc40.65atmN/AAltunin, Geller, et al., 1987Uncertainty assigned by TRC = 0.20 atm; TRC
Pc40.75atmN/AHigashi, Okazaki, et al., 1984Uncertainty assigned by TRC = 0.15 atm; TRC
Pc38.6000atmN/AMichels, Wassenaar, et al., 1966Uncertainty assigned by TRC = 0.0599 atm; TRC
Quantity Value Units Method Reference Comment
ρc4.789mol/lN/AAltunin, Geller, et al., 1987Uncertainty assigned by TRC = 0.004 mol/l; TRC
ρc4.70mol/lN/AOkada, Uematsu, et al., 1986Uncertainty assigned by TRC = 0.0469 mol/l; Density measured with magnetic densimeter. Tc, Dc selected from literature to correlate density measurements. R12; TRC
ρc4.70mol/lN/AHigashi, Okazaki, et al., 1984Uncertainty assigned by TRC = 0.04 mol/l; TRC
ρc5.54mol/lN/AMichels, Wassenaar, et al., 1966Uncertainty assigned by TRC = 0.07 mol/l; TRC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
4.78297.AStephenson and Malanowski, 1987Based on data from 282. to 345. K.; AC
5.11229.AStephenson and Malanowski, 1987Based on data from 173. to 244. K.; AC
5.16225.AStephenson and Malanowski, 1987Based on data from 173. to 240. K.; AC
4.88270.AStephenson and Malanowski, 1987Based on data from 236. to 285. K.; AC
4.90356.AStephenson and Malanowski, 1987Based on data from 341. to 385. K.; AC
5.47187.N/AKudchadker, Kudchadker, et al., 1979Based on data from 172. to 279. K.; AC
5.14228.N/AStull, 1947Based on data from 154. to 243. K.; AC
4.88243.N/ABuffington and Fleischer, 1931AC

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
154.7 to 243.43.80538782.072-37.773Stull, 1947Coefficents 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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty


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 KONINKLIJKE/SHELL LAB., AMSTERDAM, THE NETHERLANDS
NIST MS number 34556

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Vibrational and/or electronic energy levels

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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: Takehiko Shimanouchi

Symmetry:   C     Symmetry Number σ = 2


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 CF2 s-str 1101  C 1101 S gas 1098 M
a1 2 CCl2 s-str 667  C 667 S gas 667.2 S p
a1 3 CF2 scis 458  D 457.5 S gas
a1 4 CCl2 scis 262  C 261.5 S dp gas
a2 5 CF2 twist 322  C  ia 322 W dp gas
b1 6 CF2 a-str 1159  C 1159 S 1167 W dp gas
b1 7 CF2 rock 446  C 446 W
b2 8 CCl2 a-str 902  E 922 VS 923 W dp gas
b2 8 CCl2 a-str 902  E 882 VS FR39)
b2 9 CF2 wag 437  C 437 W 433 M gas

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
iaInactive
pPolarized
dpDepolarized
FRFermi resonance with an overtone or a combination tone indicated in the parentheses.
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty
E15~30 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Notes

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

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Kolesov, Zenkov, et al., 1963
Kolesov, V.P.; Zenkov, I.D.; Skuratov, S.M., Standard enthalpies of formation of chlorotrifluoromethane and dichlorodifluoromethane, Russ. J. Phys. Chem. (Engl. Transl.), 1963, 37, 378-379. [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]

Wartenberg and Schiefer, 1955
Wartenberg, H.V.; Schiefer, J., Bildungswarmen von fluor-chlor-kohlenstoff-verbindungen, Z. Anorg. Chem., 1955, 278, 326-332. [all data]

Kirkbride and Davidson, 1954
Kirkbride, F.W.; Davidson, F.G., Heats of formation of gaseous fluoro- and fluorochloro-carbons, Nature (London), 1954, 174, 79-80. [all data]

Buffington and Fleischer, 1931
Buffington, R.M.; Fleischer, J., Thermodynamic properties of dichlorodifluoromethane, a new refrigerant. IV. Specific heat of liquid and vapor and latent heat of vaporization, Ind. Eng. Chem., 1931, 23, 1290-1292. [all data]

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]

Krauss and Stephan, 1989
Krauss, R.; Stephan, K., Thermal Conductivity of Refrigerants in a Wide Range of Temperature and Pressure, J. Phys. Chem. Ref. Data, 1989, 18, 43. [all data]

Streng, 1971
Streng, A.G., Miscibility and Compatibility of Some Liquid and Solidified Gases at Low Temperature, J. Chem. Eng. Data, 1971, 16, 357. [all data]

Awbery and Griffiths, 1936
Awbery, J.H.; Griffiths, E., The Viscosities of Some Liquid Refrigerants, Proc. Phys. Soc. London, 1936, 48, 372-80. [all data]

Thornton, Burg, et al., 1933
Thornton, N.V.; Burg, A.B.; Schlesinger, H.I., The Behaviour of Dichlorodifluoromethane and of Chlorotrifluoromethane in the Electric Discharge, J. Am. Chem. Soc., 1933, 55, 3177. [all data]

Blanke and Weiss, 1991
Blanke, W.; Weiss, R., Thermodynamic properties of refrigerants. Part I: the triple points of the refrigerants R11, R12, R22, R142b, and 152a, PTB-Mitt., 1991, 101, 337-9. [all data]

Altunin, Geller, et al., 1987
Altunin, V.V.; Geller, V.Z.; Kremenvskaya, E.A.; Perel'shtein, I.I.; Petrov, E.K., Thermophysical Properties of Freons, Methane Ser. Part 2, Vol. 9, NSRDS-USSR, Selover, T. B., Ed., Hemisphere, New York, 1987. [all data]

Okada, Uematsu, et al., 1986
Okada, M.; Uematsu, M.; Watanabe, K., Orthobaric liquid densities of trichloro-fluoromethane, dichlorodi-fluoromethane, chlorodifluoromethane, 1,1,2-trichlorotrifluoroethane, 1,2-dichlorotetrafluoroethane, and of the azeotropic mixtur, J. Chem. Thermodyn., 1986, 18, 527. [all data]

Higashi, Okazaki, et al., 1984
Higashi, Y.; Okazaki, S.; Takaishi, Y.; Uematsu, M.; Watanabe, K., Measurements of the Vapor-Liquid Coexistence Curve for the Binary R12 + R22 System in the Critical Region, J. Chem. Eng. Data, 1984, 29, 31-6. [all data]

Michels, Wassenaar, et al., 1966
Michels, A.; Wassenaar, T.; Wolkers, G.J.; Prins, Chr.; van de Klundert, L., P-v-t data and thermodynamical properties of freon-12 (ccl(2)f(2)) and freon-13 (cclf(3)) fluorocarbons at temperatures between 0 and 150c and at pressures up to 400 atm, J. Chem. Eng. Data, 1966, 11, 449. [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]

Kudchadker, Kudchadker, et al., 1979
Kudchadker, A.P.; Kudchadker, S.A.; Shukla, R.P.; Patnaik, P.R., Vapor pressures and boiling points of selected halomethanes, J. Phys. Chem. Ref. Data, 1979, 8, 2, 499, https://doi.org/10.1063/1.555600 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume II, J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References