Chemical Properties of 2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphin (CAS 2683-82-1)

InChI

InChI=1S/C36H46N4/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30/h17-20,37,40H,9-16H2,1-8H3/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-

InChI Key

HCIIFBHDBOCSAF-MUZKIALCSA-N

Formula

C36H46N4

SMILES

CCC1=C(CC)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC

Molecular Weight¹

534.78

CAS

2683-82-1

Other Names

• Octaethylporphyrin
• 2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine
• Octaethylporphine
• 21H,23H-Porphine, 2,3,7,8,12,13,17,18-octaethyl-

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-20557.00 ± 21.00	kJ/mol	NIST
IE	[6.25; 6.39]	eV
IE	6.39 ± 0.03	eV	NIST
IE	6.25	eV	NIST
log10WS	-13.65		Crippen Calculated Property
logPoct/wat	9.062		Crippen Calculated Property
McVol	456.420	ml/mol	McGowan Calculated Property

Similar Compounds

Find more compounds similar to 2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphin.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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