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

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• EA : Electron affinity (eV).
• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-22223.20 ± 6.30	kJ/mol	NIST
EA	1.69 ± 0.10	eV	NIST
ΔfH°solid	621.30 ± 6.30	kJ/mol	NIST
ΔsubH°	244.20	kJ/mol	NIST
IE	[6.30; 6.39]	eV
IE	6.30 ± 0.20	eV	NIST
IE	6.39	eV	NIST
logPoct/wat	10.360		Crippen Calculated Property
McVol	474.100	ml/mol	McGowan 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

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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, 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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