Chemical Properties of 4-Deoxytetronic acid, erithro-, tri-TMS

InChI

InChI=1S/C13H32O4Si3/c1-11(15-18(2,3)4)12(16-19(5,6)7)13(14)17-20(8,9)10/h11-12H,1-10H3/t11-,12-/m0/s1

InChI Key

UFQZVEYAONLNKN-RYUDHWBXSA-N

Formula

C13H32O4Si3

SMILES

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

Molecular Weight¹

336.65

Other Names

• erythro-4-Deoxytetronic acid, tris-TMS
• 4-Deoxyerythronic acid, TMS
• 4-Deoxyerythronic acid, tris-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	0.5958		Relay (1.0) Calculated Property
ΔfG°	-437.57	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1177.24	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	64.51	kJ/mol	Relay (1.0) Calculated Property
IE	9.82	eV	Relay (1.0) Calculated Property
log10WS	-1.61		Relay (1.0) Calculated Property
logPoct/wat	3.825		Crippen Calculated Property
Pc	897.72	kPa	Relay (1.0-beta) Calculated Property
Inp	[1359.00; 1366.00]
Inp	1364.00		NIST
Inp	1366.00		NIST
Inp	1359.00		NIST
Inp	1360.00		NIST
Tboil	502.98	K	Relay (1.0) Calculated Property
Tc	659.25	K	Relay (1.0) Calculated Property
Tfus	287.49	K	Relay (1.0) Calculated Property
Vc	1.130	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 4-Deoxytetronic acid, erithro-, tri-TMS.

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.