Chemical Properties of Rhodoporphyrin-XV dimethyl ester, bis(trimethylsyloxy)silicon(IV) derivative

InChI

InChI=1S/C40H54N4O4Si2/c1-15-27-23(3)30-19-31-24(4)29(17-18-38(45)47-7)33(42-31)21-37-39(40(46)48-8)26(6)35(44(37)50(12,13)14)22-36-28(16-2)25(5)34(20-32(27)41-30)43(36)49(9,10)11/h19-22H,15-18H2,1-14H3/b30-19-,31-19-,32-20-,33-21-,34-20-,35-22-,36-22-,37-21-

InChI Key

LJMAFZIPKPKLOK-RZVYGSAJSA-N

Formula

C40H54N4O4Si2

SMILES

CCC1=C(C)c2cc3nc(cc4c(C(=O)OC)c(C)c(cc5c(CC)c(C)c(cc1n2)n5[Si](C)(C)C)n4[Si](C)(C)C)C(CCC(=O)OC)=C3C

Molecular Weight¹

711.05

• 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	1.3861		Relay (1.0) Calculated Property
ΔfG°	233.70	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-744.70	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	174.50	kJ/mol	Relay (1.0) Calculated Property
IE	6.42	eV	Relay (1.0) Calculated Property
log10WS	-8.30		Relay (1.0) Calculated Property
logPoct/wat	9.818		Crippen Calculated Property
Pc	-1357.48	kPa	Relay (1.0-beta) Calculated Property
Inp	[3855.00; 3855.00]
Inp	3855.00		NIST
Inp	3855.00		NIST
Tboil	881.82	K	Relay (1.0) Calculated Property
Tc	1298.86	K	Relay (1.0) Calculated Property
Tfus	538.30	K	Relay (1.0) Calculated Property
Vc	2.136	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Rhodoporphyrin-XV dimethyl ester, bis(trimethylsyloxy)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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