Chemical Properties of 3-Hydroxy-3-methylglutaric acid, TMS # 1

InChI

InChI=1S/C12H26O5Si2/c1-12(15,8-10(13)16-18(2,3)4)9-11(14)17-19(5,6)7/h15H,8-9H2,1-7H3

InChI Key

SNCBVZDILOGZGK-UHFFFAOYSA-N

Formula

C12H26O5Si2

SMILES

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

Molecular Weight¹

306.50

• 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	0.8347		Relay (... Calculated Property
ΔfG°	-588.01	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1331.06	kJ/mol	Relay (... Calculated Property
ΔvapH°	75.88	kJ/mol	Relay (... Calculated Property
IE	9.98	eV	Relay (... Calculated Property
log10WS	-1.20		Relay (... Calculated Property
logPoct/wat	2.274		Crippen Calculated Property
Pc	1255.20	kPa	Relay (... Calculated Property ⚠️
Inp	[1480.00; 1480.00]
Inp	1480.00		NIST
Inp	1480.00		NIST
Tboil	528.84	K	Relay (... Calculated Property
Tc	711.12	K	Relay (... Calculated Property
Tfus	314.50	K	Relay (... Calculated Property
Vc	0.986	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 3-Hydroxy-3-methylglutaric acid, TMS # 1.

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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