Chemical Properties of 3,4-Dideoxyhexaric acid, TMS

InChI

InChI=1S/C18H42O6Si4/c1-25(2,3)21-15(17(19)23-27(7,8)9)13-14-16(22-26(4,5)6)18(20)24-28(10,11)12/h15-16H,13-14H2,1-12H3

InChI Key

HJYBMEQUUKHGAZ-UHFFFAOYSA-N

Formula

C18H42O6Si4

SMILES

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

Molecular Weight¹

466.86

• 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	0.8306		Relay (1.0) Calculated Property
ΔfG°	-610.67	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1668.85	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	77.28	kJ/mol	Relay (1.0) Calculated Property
IE	9.58	eV	Relay (1.0) Calculated Property
log10WS	-2.40		Relay (1.0) Calculated Property
logPoct/wat	4.963		Crippen Calculated Property
Pc	236.73	kPa	Relay (1.0-beta) Calculated Property
Inp	[1839.00; 1839.00]
Inp	1839.00		NIST
Inp	1839.00		NIST
Tboil	561.42	K	Relay (1.0) Calculated Property
Tc	727.69	K	Relay (1.0) Calculated Property
Tfus	305.91	K	Relay (1.0) Calculated Property
Vc	1.542	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Dideoxyhexaric acid, 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

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