Chemical Properties of Phosphonic acid, methyl, cyclopentyl methyl ester (CAS 88053-17-2)

InChI

InChI=1S/C7H15O3P/c1-9-11(2,8)10-7-5-3-4-6-7/h7H,3-6H2,1-2H3

InChI Key

CEYXBFDPWJSKHZ-UHFFFAOYSA-N

Formula

C7H15O3P

SMILES

COP(C)(=O)OC1CCCC1

Molecular Weight¹

178.17

CAS

88053-17-2

Other Names

• Methylphosphonic acid, methyl cyclopentyl ester
• Methyl cyclopentyl methylphosphonate
• Methylphosphonic acid, cyclopentyl, methyl ester

• 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°	68.89	kJ/mol	Relay (1.0) Calculated Property
IE	9.76	eV	Relay (1.0) Calculated Property
logPoct/wat	2.415		Crippen Calculated Property
McVol	136.700	ml/mol	McGowan Calculated Property
Inp	[825.00; 825.00]
Inp	825.00		NIST
Inp	825.00		NIST
Inp	825.00		NIST
Tboil	510.18	K	Relay (1.0) Calculated Property
Tfus	233.46	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 Phosphonic acid, methyl, cyclopentyl methyl ester.

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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