Chemical Properties of Pyridoxal, TMS

InChI

InChI=1S/C14H25NO3Si2/c1-11-14(18-20(5,6)7)13(9-16)12(8-15-11)10-17-19(2,3)4/h8-9H,10H2,1-7H3

InChI Key

KRAALPWVLKNYLF-UHFFFAOYSA-N

Formula

C14H25NO3Si2

SMILES

Cc1ncc(CO[Si](C)(C)C)c(C=O)c1O[Si](C)(C)C

Molecular Weight¹

311.52

• 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	0.6694		Relay (... Calculated Property
ΔfG°	-136.41	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-653.82	kJ/mol	Relay (... Calculated Property
ΔvapH°	69.63	kJ/mol	Relay (... Calculated Property
IE	9.13	eV	Relay (... Calculated Property
log10WS	-1.98		Relay (... Calculated Property
logPoct/wat	3.768		Crippen Calculated Property
Pc	1185.85	kPa	Relay (... Calculated Property ⚠️
Inp	[1745.00; 1745.00]
Inp	1745.00		NIST
Inp	1745.00		NIST
Tboil	579.09	K	Relay (... Calculated Property
Tc	807.35	K	Relay (... Calculated Property
Tfus	314.00	K	Relay (... Calculated Property
Vc	0.977	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Pyridoxal, TMS.

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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