Chemical Properties of Dodecanoic acid, 9,10-epoxy-12-hydroxy, methyl ester, OH-TMS

InChI

InChI=1S/C16H32O4Si/c1-18-16(17)12-10-8-6-5-7-9-11-14-15(20-14)13-19-21(2,3)4/h14-15H,5-13H2,1-4H3

InChI Key

VPTIWFTZSSFKGU-UHFFFAOYSA-N

Formula

C16H32O4Si

SMILES

COC(=O)CCCCCCCCC1OC1CO[Si](C)(C)C

Molecular Weight¹

316.51

• 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	0.7881		Relay (1.0) Calculated Property
ΔfG°	-320.67	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-971.69	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	88.70	kJ/mol	Relay (1.0) Calculated Property
IE	9.68	eV	Relay (1.0) Calculated Property
log10WS	-3.29		Relay (1.0) Calculated Property
logPoct/wat	3.899		Crippen Calculated Property
Pc	1101.30	kPa	Relay (1.0-beta) Calculated Property
Inp	[2020.00; 2020.00]
Inp	2020.00		NIST
Inp	2020.00		NIST
Tboil	589.11	K	Relay (1.0) Calculated Property
Tc	754.29	K	Relay (1.0) Calculated Property
Tfus	307.46	K	Relay (1.0) Calculated Property
Vc	1.050	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Dodecanoic acid, 9,10-epoxy-12-hydroxy, methyl ester, OH-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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