Chemical Properties of Phthalocyanine (CAS 574-93-6)

Phthalocyanine

InChI
InChI=1S/C32H18N8/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25/h1-16H,(H2,33,34,35,36,37,38,39,40)
InChI Key
IEQIEDJGQAUEQZ-UHFFFAOYSA-N
Formula
C32H18N8
SMILES
c1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21
Molecular Weight1
514.54
CAS
574-93-6
Other Names
  • 29H,31H-Phthalocyanine
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Physical Properties

Property Value Unit Source
ω 1.0236 Relay (1.0) Calculated Property
ΔfG° 918.38 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 771.24 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 244.87 kJ/mol Relay (1.0) Calculated Property
IE 7.36 ± 0.10 eV NIST
log10WS -10.60 Relay (1.0) Calculated Property
logPoct/wat 5.905 Crippen Calculated Property
McVol 362.140 ml/mol McGowan Calculated Property
Pc 3052.02 kPa Relay (1.0-beta) Calculated Property
Tboil 997.44 K Relay (1.0) Calculated Property
Tc 1612.35 K Relay (1.0) Calculated Property
Tfus 821.03 K Relay (1.0) Calculated Property
Vc 1.411 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔsubH 223.80 ± 1.30 kJ/mol 648.00 NIST

Similar Compounds

2H-benzo[a]quinolizine-3-carboxamide,n,n-diethyl-1,3,4,6,7,11b-hexahydro-2-hydroxy-9,10-dimethoxy-,methyl ester carbonate. Aflatoxin B1. N-Acetylnornarcotine. 1-Tetrahydrocannabinol, 6«alpha»-hydroxy, TMS. amikacin. Estriol, tris(pentafluoropropionate). 16-Epiestriol, tris(pentafluoropropionate). 4H,6h-m-dioxino[4',5':5,6]pyrano[4,3-d]-4-oxazolin-2-one, hexahydro-4-methoxy-1,8-diphenyl-. Butorphanol di-TMS derivative. Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. cis-1,2-Tetralinediol, ferrocenylboronate. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Yohimbine.

Find more compounds similar to Phthalocyanine.

Sources

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