Chemical Properties of Methylphosphonic acid, bis[(dimethyl)(tert-butyl)silyl] ester (CAS 154660-12-5)

InChI

InChI=1S/C13H33O3PSi2/c1-12(2,3)18(8,9)15-17(7,14)16-19(10,11)13(4,5)6/h1-11H3

InChI Key

NZXNCMCIFZVNIK-UHFFFAOYSA-N

Formula

C13H33O3PSi2

SMILES

CC(C)(C)[Si](C)(C)OP(C)(=O)O[Si](C)(C)C(C)(C)C

Molecular Weight¹

324.54

CAS

154660-12-5

Other Names

• Methylphosphonic acid, bis-TBDMS ester
• Methylphosphonic acid, TBDMS

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5687		Relay (1.0) Calculated Property
ΔfG°	-241.61	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1000.70	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	64.46	kJ/mol	Relay (1.0) Calculated Property
IE	9.25	eV	Relay (1.0) Calculated Property
log10WS	-3.22		Relay (1.0) Calculated Property
logPoct/wat	5.853		Crippen Calculated Property
Pc	1734.13	kPa	Relay (1.0-beta) Calculated Property
Inp	[1569.00; 1580.00]
Inp	1569.00		NIST
Inp	1580.00		NIST
Tboil	540.74	K	Relay (1.0) Calculated Property
Tc	730.01	K	Relay (1.0) Calculated Property
Tfus	343.48	K	Relay (1.0) Calculated Property
Vc	1.099	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Methylphosphonic acid, bis[(dimethyl)(tert-butyl)silyl] 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
• NIST Webbook

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