Chemical Properties of Pentaric acid, 2,3-dideoxy-4-O-(trimethylsilyl)-3-[[(trimethylsilyl)oxy]carbonyl]-, bis(trimethylsilyl) ester (CAS 55517-57-2)

InChI

InChI=1S/C18H40O7Si4/c1-26(2,3)22-15(19)13-14(17(20)24-28(7,8)9)16(23-27(4,5)6)18(21)25-29(10,11)12/h14,16H,13H2,1-12H3

InChI Key

QMCRZQSRNUSJRR-UHFFFAOYSA-N

Formula

C18H40O7Si4

SMILES

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

Molecular Weight¹

480.85

CAS

55517-57-2

Other Names

• 1,2,3-Propanetricarboxylic acid, 1-[(trimethylsilyl)oxy]-, tris(trimethylsilyl) ester
• tris(Trimethylsilyl) isocitrate, (trimethylsilyl)oxy-
• Isocitric acid (4TMS)
• Isocitric acid, tetrakis-TMS
• Isocitric acid, tetra-TMS
• Propane-1,2,3-tricarboxylic acid, 1-hydroxy, tetrakis-TMS
• Isocitric acid, 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	0.8336		Relay (... Calculated Property
ΔfG°	-743.95	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1837.34	kJ/mol	Relay (... Calculated Property
ΔvapH°	74.66	kJ/mol	Relay (... Calculated Property
IE	10.00	eV	Relay (... Calculated Property
log10WS	-2.64		Relay (... Calculated Property
logPoct/wat	4.347		Crippen Calculated Property
Pc	248.64	kPa	Relay (... Calculated Property ⚠️
Inp	[1818.80; 1853.00]
Inp	1851.00		NIST
Inp	Outlier 1818.80		NIST
Inp	1837.00		NIST
Inp	1838.00		NIST
Inp	1853.00		NIST
Inp	1845.00		NIST
Inp	1846.00		NIST
Inp	1841.00		NIST
Inp	1835.00		NIST
Inp	1841.00		NIST
Inp	1843.00		NIST
Inp	1832.00		NIST
Tboil	557.40	K	Relay (... Calculated Property
Tc	737.37	K	Relay (... Calculated Property
Tfus	323.29	K	Relay (... Calculated Property
Vc	1.527	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Pentaric acid, 2,3-dideoxy-4-O-(trimethylsilyl)-3-[[(trimethylsilyl)oxy]carbonyl]-, bis(trimethylsilyl) 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

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.