Chemical Properties of Glycerol, 2-hexadecanoate, DTBS

InChI

InChI=1S/C27H54O4Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)31-24-22-29-32(30-23-24,26(2,3)4)27(5,6)7/h24H,8-23H2,1-7H3

InChI Key

LXKMTXCRJLHCQK-UHFFFAOYSA-N

Formula

C27H54O4Si

SMILES

CCCCCCCCCCCCCCCC(=O)OC1CO[Si](C(C)(C)C)(C(C)(C)C)OC1

Molecular Weight¹

470.80

• 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	1.0425		Relay (... Calculated Property
ΔfG°	-242.73	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1169.82	kJ/mol	Relay (... Calculated Property
ΔvapH°	113.25	kJ/mol	Relay (... Calculated Property
IE	9.31	eV	Relay (... Calculated Property
log10WS	-7.46		Relay (... Calculated Property
logPoct/wat	8.469		Crippen Calculated Property
Pc	330.72	kPa	Relay (... Calculated Property ⚠️
Inp	[2925.00; 2925.00]
Inp	2925.00		NIST
Inp	2925.00		NIST
Tboil	649.76	K	Relay (... Calculated Property
Tc	868.33	K	Relay (... Calculated Property
Tfus	317.92	K	Relay (... Calculated Property
Vc	1.602	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Glycerol, 2-hexadecanoate, DTBS.

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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