Chemical Properties of Rhodoporphyrin-XV homologue, bis(trimethylsiloxy)silicon(IV) derivative

InChI

InChI=1S/C38H50N4O4Si2/c1-13-25-21(3)28-17-29-23(5)27(15-16-36(43)45-47(7,8)9)34(41-29)20-35-37(38(44)46-48(10,11)12)24(6)31(42-35)19-33-26(14-2)22(4)30(40-33)18-32(25)39-28/h17-20,40,42H,13-16H2,1-12H3/b28-17-,29-17-,30-18-,31-19-,32-18-,33-19-,34-20-,35-20-

InChI Key

DSGDICSAKPOVTF-PFEKHQJSSA-N

Formula

C38H50N4O4Si2

SMILES

CCC1=C(C)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5CC)c(C)c4C(=O)O[Si](C)(C)C)C(CCC(=O)O[Si](C)(C)C)=C3C

Molecular Weight¹

683.00

• 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.
• 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	1.3488		Relay (1.0) Calculated Property
ΔfG°	110.03	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-776.36	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	187.28	kJ/mol	Relay (1.0) Calculated Property
IE	6.55	eV	Relay (1.0) Calculated Property
log10WS	-8.67		Relay (1.0) Calculated Property
logPoct/wat	8.952		Crippen Calculated Property
Inp	[3905.00; 3905.00]
Inp	3905.00		NIST
Inp	3905.00		NIST
Tboil	893.95	K	Relay (1.0) Calculated Property
Tc	1323.81	K	Relay (1.0) Calculated Property
Tfus	560.39	K	Relay (1.0) Calculated Property
Vc	2.037	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Rhodoporphyrin-XV homologue, bis(trimethylsiloxy)silicon(IV) derivative.

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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