Chemical Properties of Mevalonolactone, diTMS

InChI

InChI=1S/C12H26O4Si2/c1-12(16-18(5,6)7)8-10(13)14-11(9-12)15-17(2,3)4/h11H,8-9H2,1-7H3

InChI Key

SMFIKCUWXUSFDR-UHFFFAOYSA-N

Formula

C12H26O4Si2

SMILES

CC1(O[Si](C)(C)C)CC(=O)OC(O[Si](C)(C)C)C1

Molecular Weight¹

290.50

• 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	0.5232		Relay (1.0) Calculated Property
ΔfG°	-412.23	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1048.93	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	67.69	kJ/mol	Relay (1.0) Calculated Property
IE	9.87	eV	Relay (1.0) Calculated Property
log10WS	-1.57		Relay (1.0) Calculated Property
logPoct/wat	3.111		Crippen Calculated Property
Pc	1328.23	kPa	Relay (1.0-beta) Calculated Property
Inp	[1388.00; 1388.00]
Inp	1388.00		NIST
Inp	1388.00		NIST
Tboil	542.57	K	Relay (1.0) Calculated Property
Tc	718.31	K	Relay (1.0) Calculated Property
Tfus	283.04	K	Relay (1.0) Calculated Property
Vc	0.927	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Mevalonolactone, diTMS.

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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