Chemical Properties of 1-Decanoylethanediol, TMS

InChI

InChI=1S/C15H32O3Si/c1-5-6-7-8-9-10-11-12-15(16)17-13-14-18-19(2,3)4/h5-14H2,1-4H3

InChI Key

ZJMHGTYVDRGJGG-UHFFFAOYSA-N

Formula

C15H32O3Si

SMILES

CCCCCCCCCC(=O)OCCO[Si](C)(C)C

Molecular Weight¹

288.50

• 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	0.7907		Relay (... Calculated Property
ΔfG°	-296.54	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-907.39	kJ/mol	Relay (... Calculated Property
ΔvapH°	73.79	kJ/mol	Relay (... Calculated Property
IE	9.64	eV	Relay (... Calculated Property
log10WS	-3.84		Relay (... Calculated Property
logPoct/wat	4.522		Crippen Calculated Property
Pc	1150.69	kPa	Relay (... Calculated Property ⚠️
Inp	[1732.00; 1732.00]
Inp	1732.00		NIST
Inp	1732.00		NIST
Tboil	557.99	K	Relay (... Calculated Property
Tc	706.86	K	Relay (... Calculated Property
Tfus	248.12	K	Relay (... Calculated Property
Vc	1.006	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 1-Decanoylethanediol, 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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