Chemical Properties of Dihydrocapsaicin, tert-butyldimethylsilyl ether

InChI

InChI=1S/C24H43NO3Si/c1-19(2)13-11-9-10-12-14-23(26)25-18-20-15-16-21(22(17-20)27-6)28-29(7,8)24(3,4)5/h15-17,19H,9-14,18H2,1-8H3,(H,25,26)

InChI Key

AMLFJTPKWKHNQK-UHFFFAOYSA-N

Formula

C24H43NO3Si

SMILES

COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O[Si](C)(C)C(C)(C)C

Molecular Weight¹

421.69

Other Names

• Dihydrocapsaicin, tbdms derivative

• 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	0.9858		Relay (1.0) Calculated Property
ΔfG°	-49.90	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-826.20	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	105.20	kJ/mol	Relay (1.0) Calculated Property
IE	8.18	eV	Relay (1.0) Calculated Property
log10WS	-5.40		Relay (1.0) Calculated Property
logPoct/wat	6.692		Crippen Calculated Property
Pc	745.88	kPa	Relay (1.0-beta) Calculated Property
Inp	[2923.80; 2923.80]
Inp	2923.80		NIST
Inp	2923.80		NIST
Tboil	662.28	K	Relay (1.0) Calculated Property
Tc	901.62	K	Relay (1.0) Calculated Property
Tfus	368.65	K	Relay (1.0) Calculated Property
Vc	1.356	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Dihydrocapsaicin, tert-butyldimethylsilyl 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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