Chemical Properties of 3-(tert-Butyldimethylsilyloxy)-1-phenyl-4,5-dihydro-1H-pyrazole

InChI

InChI=1S/C15H24N2OSi/c1-15(2,3)19(4,5)18-14-11-12-17(16-14)13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3

InChI Key

QIKDCPDGRQISNZ-UHFFFAOYSA-N

Formula

C15H24N2OSi

SMILES

CC(C)(C)[Si](C)(C)OC1=NN(c2ccccc2)CC1

Molecular Weight¹

276.45

Other Names

• 1-Phenyl-3-tert-butyldimethylsilyloxy-pyrazolidine

• 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	0.5693		Relay (... Calculated Property
ΔfG°	231.37	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-136.47	kJ/mol	Relay (... Calculated Property
ΔvapH°	76.87	kJ/mol	Relay (... Calculated Property
IE	7.94	eV	Relay (... Calculated Property
log10WS	-3.31		Relay (... Calculated Property
logPoct/wat	4.232		Crippen Calculated Property
Pc	1927.98	kPa	Relay (... Calculated Property ⚠️
Inp	[1986.00; 1986.00]
Inp	1986.00		NIST
Inp	1986.00		NIST
Tboil	583.27	K	Relay (... Calculated Property
Tc	846.27	K	Relay (... Calculated Property
Tfus	336.27	K	Relay (... Calculated Property
Vc	0.852	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 3-(tert-Butyldimethylsilyloxy)-1-phenyl-4,5-dihydro-1H-pyrazole.

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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