Chemical Properties of Isobutyl methylphosphonic acid, TMS derivative (CAS 199116-09-1)

InChI

InChI=1S/C8H21O3PSi/c1-8(2)7-10-12(3,9)11-13(4,5)6/h8H,7H2,1-6H3

InChI Key

YKENHQTWUXRYMG-UHFFFAOYSA-N

Formula

C8H21O3PSi

SMILES

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

Molecular Weight¹

224.31

CAS

199116-09-1

Other Names

• Methylphosphonic acid, isobutyl ester, TMS
• Methylphosphonic acid, isobutyl trimethylsilyl ester
• Methylphosphonic acid, mono-isobutyl ester, TMS

• 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	0.5060		Relay (1.0) Calculated Property
ΔfG°	-315.40	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-834.06	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	57.86	kJ/mol	Relay (1.0) Calculated Property
IE	9.81	eV	Relay (1.0) Calculated Property
log10WS	-1.30		Relay (1.0) Calculated Property
logPoct/wat	3.333		Crippen Calculated Property
Pc	1747.40	kPa	Relay (1.0-beta) Calculated Property
Inp	[1214.00; 1221.00]
Inp	1214.00		NIST
Inp	1221.00		NIST
Inp	1221.00		NIST
Inp	1214.00		NIST
Inp	1221.00		NIST
Tboil	498.77	K	Relay (1.0) Calculated Property
Tc	624.68	K	Relay (1.0) Calculated Property
Tfus	229.55	K	Relay (1.0) Calculated Property
Vc	0.729	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Isobutyl methylphosphonic acid, TMS derivative.

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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