Chemical Properties of 3-(2-Hydroxyethyl)indole, (3-cyanopropyl)dimethylsilyl ether

InChI

InChI=1S/C16H22N2OSi/c1-20(2,12-6-5-10-17)19-11-9-14-13-18-16-8-4-3-7-15(14)16/h3-4,7-8,13,18H,5-6,9,11-12H2,1-2H3

InChI Key

SBUFUVVQIAIRPT-UHFFFAOYSA-N

Formula

C16H22N2OSi

SMILES

C[Si](C)(CCCC#N)OCCc1c[nH]c2ccccc12

Molecular Weight¹

286.44

• 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	0.7510		Relay (... Calculated Property
ΔfG°	281.31	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-95.97	kJ/mol	Relay (... Calculated Property
ΔvapH°	103.19	kJ/mol	Relay (... Calculated Property
IE	8.16	eV	Relay (... Calculated Property
log10WS	-3.31		Relay (... Calculated Property
logPoct/wat	3.754		Crippen Calculated Property
Pc	1733.92	kPa	Relay (... Calculated Property ⚠️
Inp	[2401.00; 2401.00]
Inp	2401.00		NIST
Inp	2401.00		NIST
Tboil	674.72	K	Relay (... Calculated Property
Tc	930.75	K	Relay (... Calculated Property
Tfus	339.50	K	Relay (... Calculated Property
Vc	0.869	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 3-(2-Hydroxyethyl)indole, (3-cyanopropyl)dimethylsilyl 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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