Chemical Properties of 1,2-Ethanediphosphonic acid, tetra-kis(rimethylsilyl) ester

InChI

InChI=1S/C14H40O6P2Si4/c1-23(2,3)17-21(15,18-24(4,5)6)13-14-22(16,19-25(7,8)9)20-26(10,11)12/h13-14H2,1-12H3

InChI Key

YOWIFSBYLUTCHQ-UHFFFAOYSA-N

Formula

C14H40O6P2Si4

SMILES

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

Molecular Weight¹

478.75

Other Names

• 1,2-Ethanediphosphonic acid, tetra-trimethylsilyl; ester
• 1,2-Ethylenediphosphonic acid, tetra-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	0.7785		Relay (... Calculated Property
ΔfG°	-579.91	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1721.75	kJ/mol	Relay (... Calculated Property
ΔvapH°	73.41	kJ/mol	Relay (... Calculated Property
IE	9.49	eV	Relay (... Calculated Property
log10WS	-3.10		Relay (... Calculated Property
logPoct/wat	6.779		Crippen Calculated Property
Pc	466.82	kPa	Relay (... Calculated Property ⚠️
Inp	[1923.00; 1923.00]
Inp	1923.00		NIST
Inp	1923.00		NIST
Tboil	602.36	K	Relay (... Calculated Property
Tc	733.87	K	Relay (... Calculated Property
Tfus	314.57	K	Relay (... Calculated Property
Vc	1.564	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Ethanediphosphonic acid, tetra-kis(rimethylsilyl) 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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