Chemical Properties of Pyrrolidin-2-one, 1-[1-(4-trimethylsilyloxycarbonylphenyl)butan-1-ol-2-yl]-, trimethylsilyl ether

InChI

InChI=1S/C21H35NO4Si2/c1-8-18(22-15-9-10-19(22)23)20(25-27(2,3)4)16-11-13-17(14-12-16)21(24)26-28(5,6)7/h11-14,18,20H,8-10,15H2,1-7H3

InChI Key

NEDHARLTVIMVAU-UHFFFAOYSA-N

Formula

C21H35NO4Si2

SMILES

CCC(C(O[Si](C)(C)C)c1ccc(C(=O)O[Si](C)(C)C)cc1)N1CCCC1=O

Molecular Weight¹

421.68

Other Names

• 4 -methyl-«alpha»-pyrrolidinobutyrophenone-M (carboxy-oxo-dihydro-) diTMS

• 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	0.8358		Relay (... Calculated Property
ΔfG°	-196.22	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-950.27	kJ/mol	Relay (... Calculated Property
ΔvapH°	98.35	kJ/mol	Relay (... Calculated Property
IE	8.73	eV	Relay (... Calculated Property
log10WS	-2.87		Relay (... Calculated Property
logPoct/wat	4.972		Crippen Calculated Property
Pc	443.90	kPa	Relay (... Calculated Property ⚠️
Inp	[2430.00; 2430.00]
Inp	2430.00		NIST
Inp	2430.00		NIST
Tboil	662.54	K	Relay (... Calculated Property
Tc	890.11	K	Relay (... Calculated Property
Tfus	329.26	K	Relay (... Calculated Property
Vc	1.291	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Pyrrolidin-2-one, 1-[1-(4-trimethylsilyloxycarbonylphenyl)butan-1-ol-2-yl]-, trimethylsilyl ether.

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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