Chemical Properties of Methylphosphorochlorofluoridate

InChI

InChI=1S/CH3ClFOP/c1-5(2,3)4/h1H3

InChI Key

JJWNAEDAYJIUHA-UHFFFAOYSA-N

Formula

CH3ClFOP

SMILES

CP(=O)(F)Cl

Molecular Weight¹

116.46

Other Names

• Methylphosphonyl chlorofluoride

• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	11.52	eV	Relay (1.0) Calculated Property
logPoct/wat	2.018		Crippen Calculated Property
McVol	65.290	ml/mol	McGowan Calculated Property
Pc	4531.24	kPa	Relay (1.0-beta) Calculated Property
S°liquid	216.40	J/mol×K	NIST
Tc	536.99	K	Relay (1.0) Calculated Property
Tfus	237.01	K	Relay (1.0) Calculated Property
Ttriple	[250.70; 250.70]	K
Ttriple	250.70 ± 0.02	K	NIST
Ttriple	250.70 ± 0.02	K	NIST
Vc	0.263	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	153.17	J/mol×K	298.15	NIST
ΔfusH	[11.85; 11.85]	kJ/mol	[250.70; 250.70]
ΔfusH	11.85	kJ/mol	250.70	NIST
ΔfusH	11.85	kJ/mol	250.70	NIST
ΔfusH	11.85	kJ/mol	250.70	NIST
ΔfusH	11.85	kJ/mol	250.70	NIST
ΔfusS	[47.28; 47.28]	J/mol×K	[250.70; 250.70]
ΔfusS	47.28	J/mol×K	250.70	NIST
ΔfusS	47.28	J/mol×K	250.70	NIST

Similar Compounds

Find more compounds similar to Methylphosphorochlorofluoridate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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