Chemical Properties of 1-(4-Trimethylsilyloxycarbonylphenyl)-2-(pyrrolidin-1-yl)-butan-1-one

InChI

InChI=1S/C18H27NO3Si/c1-5-16(19-12-6-7-13-19)17(20)14-8-10-15(11-9-14)18(21)22-23(2,3)4/h8-11,16H,5-7,12-13H2,1-4H3

InChI Key

ZUHPCDGKDCHXAZ-UHFFFAOYSA-N

Formula

C18H27NO3Si

SMILES

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

Molecular Weight¹

333.50

Other Names

• 4 -methyl-«alpha»-pyrrolidinobutyrophenone-M (carboxy-) TMS

• 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	0.7484		Relay (1.0) Calculated Property
ΔfG°	-116.38	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-634.69	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	93.73	kJ/mol	Relay (1.0) Calculated Property
IE	8.04	eV	Relay (1.0) Calculated Property
log10WS	-3.02		Relay (1.0) Calculated Property
logPoct/wat	3.735		Crippen Calculated Property
Pc	935.78	kPa	Relay (1.0-beta) Calculated Property
Inp	[2220.00; 2220.00]
Inp	2220.00		NIST
Inp	2220.00		NIST
Tboil	631.78	K	Relay (1.0) Calculated Property
Tc	843.53	K	Relay (1.0) Calculated Property
Tfus	349.17	K	Relay (1.0) Calculated Property
Vc	1.011	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1-(4-Trimethylsilyloxycarbonylphenyl)-2-(pyrrolidin-1-yl)-butan-1-one.

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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