Methylene chloride
- Formula: CH2Cl2
- Molecular weight: 84.933
- IUPAC Standard InChI: InChI=1S/CH2Cl2/c2-1-3/h1H2
- IUPAC Standard InChIKey: YMWUJEATGCHHMB-UHFFFAOYSA-N
- CAS Registry Number: 75-09-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Isotopologues:
- Other names: Methane, dichloro-; Aerothene MM; Dichloromethane; Freon 30; Methylene dichloride; Narkotil; Solaesthin; Solmethine; CH2Cl2; Methane dichloride; Methylene bichloride; Chlorure de methylene; Metylenu chlorek; NCI-C50102; R 30; Rcra waste number U080; UN 1593; Methoklone; Salesthin; F 30; F 30 (chlorocarbon); HCC 30; Khladon 30; Metaclen; NSC 406122; Soleana VDA
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Vibrational and/or electronic energy levels, References, Notes
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 |
|---|---|---|---|---|---|
| ΔfH°gas | -22.83 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1968 |
| ΔfH°gas | -22.7 ± 0.60 | kcal/mol | Review | Manion, 2002 | derived from recommended ΔfHliquid° and ΔvapH°; DRB |
| ΔfH°gas | -22.87 ± 0.32 | kcal/mol | Chyd | Lacher, Amador, et al., 1967 | Reanalyzed by Cox and Pilcher, 1970, Original value = -22.95 ± 0.32 kcal/mol; At 250 C; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 64.598 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1968 |
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 1200. | 1200. to 6000. |
|---|---|---|
| A | 4.582579 | 22.73660 |
| B | 32.70660 | 1.606531 |
| C | -22.73660 | -0.307886 |
| D | 6.221571 | 0.020470 |
| E | -0.028538 | -3.570471 |
| F | -25.55779 | -37.60770 |
| G | 61.18891 | 81.39130 |
| H | -22.83010 | -22.83010 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1968 | Data last reviewed in December, 1968 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Vibrational and/or electronic energy levels, References, Notes
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
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -29.66 ± 0.60 | kcal/mol | Review | Manion, 2002 | adopted combustion calorimetry data of Hu and Sinke, 1969 with increased uncertainty to reflect other data; DRB |
| ΔfH°liquid | -29.70 | kcal/mol | Ccr | Hu and Sinke, 1969, 2 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -144.00 | kcal/mol | Ccr | Hu and Sinke, 1969, 2 | ALS |
| ΔcH°liquid | -144.8 ± 2.0 | kcal/mol | Ccb | Smith, Bjellerup, et al., 1953 | Reanalyzed by Cox and Pilcher, 1970, Original value = -144. ± 1. kcal/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 41.71 | cal/mol*K | N/A | Moseeva, Rabinovich, et al., 1978 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 24.45 | 298.15 | Moseeva, Rabinovich, et al., 1978 | T = 5 to 300 K.; DH |
| 25.22 | 303.2 | Harrison and Moelwyn-Hughes, 1957 | T = 244 to 303 K. Unsmoothed experimental datum.; DH |
| 30.90 | 298. | Kurbatov, 1948 | T = -76 to 41°C. Mean Cp, four temperatures.; DH |
| 23.90 | 298. | Riedel, 1941 | T = -47 to 41°C.; DH |
| 23.90 | 298.1 | Riedel, 1940 | T = -47 to 41°C.; DH |
| 24.02 | 292.5 | Perlick, 1937 | T = -58 to 19°C. Value is unsmoothed experimental datum.; DH |
| 24.09 | 292.5 | Perlick, 1937, 2 | T = -58 to 19°C. Value is unsmoothed experimental datum.; DH |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Vibrational and/or electronic energy levels, References, Notes
Data compiled by: Coblentz Society, Inc.
- GAS (100 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm-1 resolution
- LIQUID (NEAT); PERKIN-ELMER 521 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
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
- gas; IFS66V (Bruker); 3-Term B-H Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Boxcar Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Happ Genzel Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); NB Strong Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Triangular Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, IR Spectrum, References, Notes
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 | CH2 s-str | 2999 | B | 2999 M | gas | 2996 S p | gas | ||
| a1 | 2 | CH2 scis | 1467 | C | 1467 W | gas | 1430.1 W p | gas | ||
| a1 | 3 | CCl2 s-str | 717 | B | 717 M | gas | 713 S p | gas | ||
| a1 | 4 | CCl2 scis | 282 | B | 284 | liq. | 281.5 M p | gas | ||
| a2 | 5 | CH2 twist | 1153 | B | ia | 1153 VW | gas | Spectrum of liquid 2Cl2, weak band is found at ν1156 cm(ν1, )may be assigned to ν5 | ||
| b1 | 6 | CH2 a-str | 3040 | B | 3045 | liq. | 3040 S dp | gas | ||
| b1 | 7 | CH2 rock | 898 | B | 897.7 M | gas | 893 VW | gas | ||
| b2 | 8 | CH2 wag | 1268 | B | 1268 S | gas | 1265 | liq. | ||
| b2 | 9 | CCl2 a-str | 758 | B | 758 VS | liq. | ||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| ia | Inactive |
| p | Polarized |
| dp | Depolarized |
| B | 1~3 cm-1 uncertainty |
| C | 3~6 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, IR Spectrum, 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]
Manion, 2002
Manion, J.A.,
Evaluated Enthalpies of Formation of the Stable Closed Shell C1 and C2 Chlorinated Hydrocarbons,
J. Phys. Chem. Ref. Data, 2002, 31, 1, 123-172, https://doi.org/10.1063/1.1420703
. [all data]
Lacher, Amador, et al., 1967
Lacher, J.R.; Amador, A.; Park, J.D.,
Reaction heats of organic compounds. Part 5.-Heats of hydrogenation of dichloromethane, 1,1- and 1,2-dichloroethane and 1,2-dichloropropane,
Trans. Faraday Soc., 1967, 63, 1608-1611. [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]
Hu and Sinke, 1969
Hu, A.T.; Sinke, G.C.,
Combustion calorimetry of some chlorinated organic compounds,
J. Chem. Thermodyn., 1969, 1, 6, 507, https://doi.org/10.1016/0021-9614(69)90010-X
. [all data]
Hu and Sinke, 1969, 2
Hu, A.T.; Sinke, G.C.,
Combustion calorimetry of some chlorinated organic compounds,
J. Chem. Thermodyn., 1969, 1, 507-513. [all data]
Smith, Bjellerup, et al., 1953
Smith, L.; Bjellerup, L.; Krook, S.; Westermark, H.,
Heats of combustion of organic chloro compounds determined by the "quartz wool" method,
Acta Chem. Scand., 1953, 7, 65. [all data]
Moseeva, Rabinovich, et al., 1978
Moseeva, E.M.; Rabinovich, I.B.; Busygina, G.I.; Safonov, V.A.; Ovchinnikov, E.Yu.,
Thermodynamic proerties of methylene chloride, Termodin. Org. Soedin.,
Gor'kii, 1978, 1, 8-11. [all data]
Harrison and Moelwyn-Hughes, 1957
Harrison, D.; Moelwyn-Hughes, E.A.,
The heat capacities of certain liquids,
Proc. Roy. Soc. (London), 1957, A239, 230-246. [all data]
Kurbatov, 1948
Kurbatov, V.Ya.,
Heat capacity of liquids. 2. Heat capacity and the temperature dependence of heat capacity from halogen derivatives of acylic hydrocarbons,
Zh. Obshch. Kim., 1948, 18, 372-389. [all data]
Riedel, 1941
Riedel, L.,
Determination of the specific heat of liquid ethyl chloride and liquid methylene chloride, Bull. Int. Inst.,
Refrig. Annex 22, 1941, No4, 1-3. [all data]
Riedel, 1940
Riedel, L.,
Bestimmung der spezifischen Wärme von Äthychlorid und Methylenchlorid im flüssigen Zustand,
Z. ges. Kalte-Ind., 1940, 47, 87. [all data]
Perlick, 1937
Perlick, A.,
Calorimetric investigations on dichloromethane, difluoromonochloroethane and tetrafluorodichloroethane,
Bull. Int. Inst. Refrig., 1937, 18, 1-9. [all data]
Perlick, 1937, 2
Perlick, A.,
Kalorimetrische Messungen an Schwefeldioxyd, Methylenchlorid, Difluormonochloraethan und Tetrafluordichloraethan,
Z. ges. Kalt-Ind., 1937, 44, 201-206. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, IR Spectrum, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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