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
ΔfH°gas-491.62kJ/molReviewChase, 1998Data last reviewed in June, 1970
ΔfH°gas-477.6 ± 5.6kJ/molCmKolesov, Zenkov, et al., 1963Reanalyzed by Cox and Pilcher, 1970, Original value = -469.0 ± 5.0 kJ/mol; Reaction with Na; ALS
ΔfH°gas-477. ± 13.kJ/molCcbWartenberg and Schiefer, 1955Reanalyzed by Cox and Pilcher, 1970, Original value = -473. kJ/mol; ALS
ΔfH°gas-469. ± 8.kJ/molCmKirkbride and Davidson, 1954Von Wartenberg method; ALS
Quantity Value Units Method Reference Comment
S°gas,1 bar300.89J/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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 1100.1100. to 6000.
A 48.01014107.3635
B 139.18080.404844
C -124.3326-0.082033
D 39.751470.005689
E -0.633834-5.707394
F -513.2304-539.7486
G 319.1028406.4660
H -491.6200-491.6200
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1970 Data last reviewed in June, 1970

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

k°H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.0025 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.00313500.XN/A 
0.00035-210.XN/A 
0.0023 LN/A 
0.00211800.LN/A 
0.0024 VN/A 
0.0025 MPearson and McConnell, 1975The same data was also published in missing citation. Value at T = 293. K.

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:   C2ν     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 FR(ν3+ν9)
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, Henry's Law data, 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]

Pearson and McConnell, 1975
Pearson, C.R.; McConnell, G., Chlorinated C1 and C2 Hydrocarbons in the Marine Environment, Proc. R. Soc. London, B, 1975, 189, 305-332. [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

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