Chemical Properties of O-(4-tert-butylphenyl) 0-phenyl phosphorochloridate (CAS 63449-81-0)

O-(4-tert-butylphenyl) 0-phenyl phosphorochloridate

InChI
InChI=1S/C16H18ClO3P/c1-16(2,3)13-9-11-15(12-10-13)20-21(17,18)19-14-7-5-4-6-8-14/h4-12H,1-3H3
InChI Key
KOXGHOLJUDEKOQ-UHFFFAOYSA-N
Formula
C16H18ClO3P
SMILES
CC(C)(C)c1ccc(OP(=O)(Cl)Oc2ccccc2)cc1
Molecular Weight1
324.74
CAS
63449-81-0
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Physical Properties

Property Value Unit Source
ω 0.6628 Relay (1.0) Calculated Property
ΔfH°gas -454.18 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 95.04 kJ/mol Relay (1.0) Calculated Property
IE 8.55 eV Relay (1.0) Calculated Property
log10WS -6.17 Relay (1.0) Calculated Property
logPoct/wat 5.789 Crippen Calculated Property
McVol 239.090 ml/mol McGowan Calculated Property
Pc 1726.84 kPa Relay (1.0-beta) Calculated Property
Tboil 621.24 K Relay (1.0) Calculated Property
Tc 893.84 K Relay (1.0) Calculated Property
Tfus 309.11 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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. Phenol, 4-(1,1-dimethylethyl)-, phosphate (3:1). 4-([Bis(4-tert-butylphenoxy)phosphoryl]oxy)-1,1'-biphenyl. 4-Tert-butylphenyl bis(2-methylphenyl) phosphate. Bis(4-tert-butyl-2-methylphenyl) phenyl phosphate. Tris(2,4-di-tert-butylphenyl) phosphate. Di[1,1'-biphenyl]-2-yl 4-tert-butylphenyl phosphate. [1,1'-Biphenyl]-2-yl 4-tert-butylphenyl phenyl phosphate. Tris[4-(1,1,3,3-tetramethylbutyl)phenyl] phosphate. P-sec-butyl phenyl phosphate. Tris(2,4-di-tert-butylphenyl) phosphite. Isopropylphenyldiphenyl phosphate. Bis(4-tert-butylphenyl) 4-cyclohexylphenyl phosphate. Trimethyl(4-tert-butylphenoxy)silane. Bis(5-isopropyl-2-methylphenyl) 2-methylphenyl phosphate.

Find more compounds similar to O-(4-tert-butylphenyl) 0-phenyl phosphorochloridate.

Sources

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