Methylphosphonyl dichloride
- Formula: CH3Cl2OP
- Molecular weight: 132.914
- IUPAC Standard InChIKey: SCLFRABIDYGTAZ-UHFFFAOYSA-N
- CAS Registry Number: 676-97-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Methyl phosphonic dichloride; CH3POCl2; Methanephosphonic dichloride; Methanephosphonic acid dichloride; Phosphonic dichloride, methyl-; NA 9206; Phosphonodichloridic acid, methyl-; Methanephosphonyl chloride; Phosphonic dichloride, P-methyl-
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Condensed phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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: Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°solid,1 bar | 39.398 | cal/mol*K | N/A | Furukawa, Reilly, et al., 1964 |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
31.338 | 298.15 | Furukawa, Reilly, et al., 1964 | T = 15 to 335 K. |
Phase change data
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Ttriple | 306.14 | K | N/A | Furukawa, Reilly, et al., 1964, 2 | Uncertainty assigned by TRC = 0.02 K; TRC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
4.3203 | 306.14 | Furukawa, Reilly, et al., 1964 | DH |
4.321 | 306.1 | Furukawa, Reilly, et al., 1964, 2 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
14.11 | 306.14 | Furukawa, Reilly, et al., 1964 | DH |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.91 | PE | Zverev and Villem, 1980 | LLK |
10.92 | PE | Zverev, Vilesov, et al., 1975 | LLK |
11.49 | PE | Zverev, Villem, et al., 1979 | Vertical value; LLK |
11.45 | PE | Zverev, Villem, et al., 1978 | Vertical value; LLK |
11.43 | PE | Elbel and Dieck, 1976 | Vertical value; LLK |
11.4 | PE | Betteridge, Thompson, et al., 1972 | Vertical value; LLK |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
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 | VERIFIN - Methodology B4-1983 |
NIST MS number | 226264 |
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.
Furukawa, Reilly, et al., 1964
Furukawa, G.T.; Reilly, M.L.; Piccirelli, J.H.; Tenenbaum, M.,
Thermodynamic properties of some methylphosphonyl dihalides from 15 to 335 K,
J. Res., 1964, NBS A68, 367-379. [all data]
Furukawa, Reilly, et al., 1964, 2
Furukawa, George T.; Reilly, Martin L.; Piccirelli, Jeanette H.; Tenenbaum, Milton,
Thermodynamic properties of some methylphosphonyl dihalides from 15 to 335 ÃfÆ'ââ«8218»¬Å¡Ãfâ«8364»së8218»Â°K,
J. RES. NATL. BUR. STAN. SECT. A., 1964, 68A, 4, 367, https://doi.org/10.6028/jres.068A.036
. [all data]
Zverev and Villem, 1980
Zverev, V.V.; Villem, Y.Y.,
Ionizationp potentials of phosphoryl compounds,
J. Struct. Chem., 1980, 21, 22, In original 30. [all data]
Zverev, Vilesov, et al., 1975
Zverev, V.V.; Vilesov, F.I.; Vovna, V.I.; Lopatin, S.N.; Kitaev, Y.P.,
Photoelectron spectra,
Izv. Akad. Nauk SSSR, Ser. Khim., 1975, 1975, 1051. [all data]
Zverev, Villem, et al., 1979
Zverev, V.V.; Villem, Y.Y.; Islamov, R.G.; Kitaev, Y.P.,
Photoelectron spectrum and electron structure of vinylphosphonic dichloride Cl2P(O)CH=CH2,
Zh. Obshch. Khim., 1979, 49, 1737. [all data]
Zverev, Villem, et al., 1978
Zverev, V.V.; Villem, Y.Y.; Ermolaeva, L.V.; Lisin, A.F.,
The photoelectron spectra and electronic structure of unsaturated phosphoryl compounds,
Dokl. Phys. Chem., 1978, 246, 1368. [all data]
Elbel and Dieck, 1976
Elbel, S.; Dieck, H.t.,
Photoelectron spectra of group 5 compounds. Part V. Phosphorus halides, R2P(X)Y and RP(X)Y2(R = Me or F; X = O, S, or Se; Y = Cl or Br),
J. Chem. Soc. Dalton Trans., 1976, 1762. [all data]
Betteridge, Thompson, et al., 1972
Betteridge, D.; Thompson, M.; Baker, A.D.; Kemp, N.R.,
Photoelectron spectra of phosphorus halides, alkyl phosphites and phosphates, organophosphorus pesticides, and related compounds,
Anal. Chem., 1972, 44, 2005. [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
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) Ttriple Triple point temperature ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.