Chemical Properties of Cycloheptyl methylphosphonofluoridoate

InChI

InChI=1S/C8H16FO2P/c1-12(9,10)11-8-6-4-2-3-5-7-8/h8H,2-7H2,1H3

InChI Key

FLEZPAFIBXHSRI-UHFFFAOYSA-N

Formula

C8H16FO2P

SMILES

CP(=O)(F)OC1CCCCCC1

Molecular Weight¹

194.19

Other Names

• Methylphosphonic acid, fluoroanhydride, cycloheptyl ester
• Cycloheptyl methylphosphonofluoridoate
• Cycloheptyl methylphosphonofluoridate

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	62.17	kJ/mol	Relay (1.0) Calculated Property
IE	10.15	eV	Relay (1.0) Calculated Property
logPoct/wat	3.518		Crippen Calculated Property
McVol	146.690	ml/mol	McGowan Calculated Property
Inp	[1340.00; 1340.00]
Inp	1340.00		NIST
Inp	1340.00		NIST
Tboil	511.14	K	Relay (1.0) Calculated Property
Tfus	255.67	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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.

Similar Compounds

Find more compounds similar to Cycloheptyl methylphosphonofluoridoate.

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.