Chemical Properties of Phenol, 4-(1,1-dimethylethyl)-, phosphate (3:1) (CAS 78-33-1)

Phenol, 4-(1,1-dimethylethyl)-, phosphate (3:1)

InChI
InChI=1S/C30H39O4P/c1-28(2,3)22-10-16-25(17-11-22)32-35(31,33-26-18-12-23(13-19-26)29(4,5)6)34-27-20-14-24(15-21-27)30(7,8)9/h10-21H,1-9H3
InChI Key
LORSVOJSXMHDHF-UHFFFAOYSA-N
Formula
C30H39O4P
SMILES
CC(C)(C)c1ccc(OP(=O)(Oc2ccc(C(C)(C)C)cc2)Oc2ccc(C(C)(C)C)cc2)cc1
Molecular Weight1
494.60
CAS
78-33-1
Other Names
  • p-tert-Butylphenol, phosphate (3:1)
  • Phenol, p-tert-butyl-, phosphate (3:1)
  • Tris(p-tert-butylphenyl) phosphate
  • Tris(4-tert-butylphenyl) phosphate
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Physical Properties

Property Value Unit Source
ΔfH°gas -685.81 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 124.39 kJ/mol Relay (1.0) Calculated Property
IE 8.26 eV Relay (1.0) Calculated Property
log10WS -9.46 Relay (1.0) Calculated Property
logPoct/wat 9.224 Crippen Calculated Property
McVol 406.220 ml/mol McGowan Calculated Property
Pc 426.58 kPa Relay (1.0-beta) Calculated Property
Tboil 721.05 K Relay (1.0) Calculated Property
Tc 1041.98 K Relay (1.0) Calculated Property
Tfus 360.31 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Similar Compounds

Bis(4-tert-butylphenyl) phenyl phosphate. O-(4-tert-butylphenyl) 0-phenyl phosphorochloridate. 4-([Bis(4-tert-butylphenoxy)phosphoryl]oxy)-1,1'-biphenyl. Tris[4-(1,1,3,3-tetramethylbutyl)phenyl] phosphate. 4-Tert-butylphenyl bis(2-methylphenyl) phosphate. Tris(2,4-di-tert-butylphenyl) phosphate. Bis(4-tert-butyl-2-methylphenyl) phenyl phosphate. P-sec-butyl phenyl phosphate. Di[1,1'-biphenyl]-2-yl 4-tert-butylphenyl phosphate. [1,1'-Biphenyl]-2-yl 4-tert-butylphenyl phenyl phosphate. Tris(2,4-di-tert-butylphenyl) phosphite. Phenol, 4-(1,1-dimethylethyl)-. Benzene, 1-(1,1-dimethylethyl)-4-methoxy-. Trimethyl(4-tert-butylphenoxy)silane. Benzene, 1-(1,1-dimethylethyl)-4-ethoxy-.

Find more compounds similar to Phenol, 4-(1,1-dimethylethyl)-, phosphate (3:1).

Sources

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