Chemical Properties of Warrego ketol, TMS

InChI

InChI=1S/C18H30O3Si/c1-13(2)11-16(19)17-14(3)7-9-18(17,21-22(4,5)6)15-8-10-20-12-15/h8,10,12-14,17H,7,9,11H2,1-6H3

InChI Key

ADBJJZAWUOGVBE-UHFFFAOYSA-N

Formula

C18H30O3Si

SMILES

CC(C)CC(=O)C1C(C)CCC1(O[Si](C)(C)C)c1ccoc1

Molecular Weight¹

322.51

• 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	0.5641		Relay (... Calculated Property
ΔfG°	-119.84	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-629.98	kJ/mol	Relay (... Calculated Property
ΔvapH°	81.48	kJ/mol	Relay (... Calculated Property
IE	8.65	eV	Relay (... Calculated Property
log10WS	-3.47		Relay (... Calculated Property
logPoct/wat	4.988		Crippen Calculated Property
Pc	1175.68	kPa	Relay (... Calculated Property ⚠️
Inp	[1754.00; 1754.00]
Inp	1754.00		NIST
Inp	1754.00		NIST
Tboil	578.38	K	Relay (... Calculated Property
Tc	795.89	K	Relay (... Calculated Property
Tfus	333.08	K	Relay (... Calculated Property
Vc	0.993	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Warrego ketol, 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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