Chemical Properties of Tetraphenylporphyrin (CAS 917-23-7)

InChI

InChI=1S/C44H30N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-28,45,48H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-

InChI Key

YNHJECZULSZAQK-LWQDQPMZSA-N

Formula

C44H30N4

SMILES

C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1

Molecular Weight¹

614.74

CAS

917-23-7

Other Names

• .alpha.,.beta.,.gamma.,.delta.-tetraphenylporphine
• 21H,23H-porphine, 5,10,15,20-tetraphenyl-
• 5,10,15,20-Tetraphenyl-21H,23H-porphyrin
• 5,10,15,20-tetraphenyl-21H,23H-porphine
• 5,10,15,20-tetraphenylporphine
• 5,10,15,20-tetraphenylporphyrin
• NSC 18506
• NSC 640184
• Tetraphenyl porphine
• meso-Tetraphenylporphyrine
• meso-tetraphenylporphine
• meso-tetraphenylporphyrin
• porphine, .alpha.,.beta.,.gamma.,.delta.-tetraphenyl-
• porphine, 5,10,15,20-tetraphenyl-
• tetraphenylporphine
• «alpha»,«beta»,«gamma»,«delta»-Tetraphenylporphine

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• EA : Electron affinity (eV).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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	0.9983		Relay (1.0) Calculated Property
ΔcH°solid	-22223.20 ± 6.30	kJ/mol	NIST
EA	1.69 ± 0.10	eV	NIST
ΔfG°	998.19	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	985.32	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	621.30 ± 6.30	kJ/mol	NIST
ΔsubH°	244.20	kJ/mol	NIST
ΔvapH°	258.10	kJ/mol	Relay (1.0) Calculated Property
IE	[6.30; 6.39]	eV
IE	6.30 ± 0.20	eV	NIST
IE	6.39	eV	NIST
log10WS	-12.68		Relay (1.0) Calculated Property
logPoct/wat	10.360		Crippen Calculated Property
McVol	474.100	ml/mol	McGowan Calculated Property
Pc	992.47	kPa	Relay (1.0-beta) Calculated Property
Tboil	1027.38	K	Relay (1.0) Calculated Property
Tc	1647.20	K	Relay (1.0) Calculated Property
Tfus	723.50	K	Study of the stability of 5,10,15,20-tetraphenylporphine (TPP) and metalloporphyrins NiTPP, CoTPP, CuTPP, and ZnTPP by differential scanning calorimetry and thermogravimetry
Vc	1.698	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔsubH	[110.90; 171.00]	kJ/mol	[549.00; 666.50]
ΔsubH	171.00 ± 2.00	kJ/mol	549.00	NIST
ΔsubH	110.90 ± 5.00	kJ/mol	633.00	NIST
ΔsubH	142.00 ± 3.00	kJ/mol	666.50	NIST

Similar Compounds

Find more compounds similar to Tetraphenylporphyrin.

Mixtures

• Tetraphenylporphyrin + Propanoic acid + Water
• Formamide, N,N-dimethyl- + Tetraphenylporphyrin + Water
• Formamide, N,N-dimethyl- + Tetraphenylporphyrin
• Ethanol + Tetraphenylporphyrin + Water
• Ethanol + Tetraphenylporphyrin

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
• Solubilities and thermodynamics of TPP in propionic acid + water and TPPMnCl in N,Ndimethylformamide + water solvent mixtures at (303.2 to 343.2) K
• Study of the stability of 5,10,15,20-tetraphenylporphine (TPP) and metalloporphyrins NiTPP, CoTPP, CuTPP, and ZnTPP by differential scanning calorimetry and thermogravimetry
• Solubilities of 5,10,15,20-Tetraphenylporphyrin and 5,10,15,20-Tetra(p-chlorophenyl)porphyrin in Binary N,N-Dimethylformamide + Water Solvent Mixtures
• Solubilities of 5,10,15,20-Tetraphenylporphyrin and 5,10,15,20-Tetraphenylporphyrin Manganese(III) Chloride in Binary Ethanol + Water Solvent Mixtures
• McGowan Method
• NIST Webbook

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