Chemical Properties of 2,4-Di-tert-butylphenol (CAS 96-76-4)

2,4-Di-tert-butylphenol

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InChI
InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
InChI Key
ICKWICRCANNIBI-UHFFFAOYSA-N
Formula
C14H22O
SMILES
CC(C)(C)c1ccc(O)c(C(C)(C)C)c1
Molecular Weight1
206.32
CAS
96-76-4
Other Names
  • Phenol, 2,4-bis(1,1-dimethylethyl)-
  • Phenol, 2,4-di-tert-butyl-
  • 2,4-di-t-Butylphenol
  • 1-Hydroxy-2,4-di-tert-butylbenzene
  • Antioxidant No. 33
  • Prodox 146
  • Prodox 146A-85X
  • 2,4-Bis(1,1-dimethylethyl)phenol
  • 2,4-Bis(tert-butyl)phenol
  • NSC 174502
  • 2,4-tert-butylphenol
  • 2,4-bis(1,1'-dimethylethyl)phenol
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Physical Properties

Property Value Unit Source
Δcsolid -8255.00 kJ/mol NIST
Δf 20.84 kJ/mol Joback Calculated Property
Δfgas -290.00 kJ/mol NIST
Δfsolid -400.00 kJ/mol NIST
Δfus 16.62 kJ/mol Joback Calculated Property
Δsub [86.70; 110.00] kJ/mol Show Hide
Δsub 92.90 ± 2.80 kJ/mol NIST
Δsub 86.70 ± 0.30 kJ/mol NIST
Δsub 107.10 kJ/mol NIST
Δsub 110.00 kJ/mol NIST
Δvap 72.40 ± 0.50 kJ/mol NIST
log10WS -3.65 Crippen Calculated Property
logPoct/wat 3.987 Crippen Calculated Property
McVol 190.230 ml/mol McGowan Calculated Property
Pc 2358.78 kPa Joback Calculated Property
Inp [1494.00; 1553.00]   Show Hide
Inp 1519.00 NIST
Inp 1513.00 NIST
Inp 1512.00 NIST
Inp 1539.00 NIST
Inp 1518.00 NIST
Inp 1521.00 NIST
Inp 1525.00 NIST
Inp 1519.00 NIST
Inp 1518.00 NIST
Inp 1521.00 NIST
Inp 1494.00 NIST
Inp 1511.00 NIST
Inp 1513.00 NIST
Inp Outlier 1553.00 NIST
Inp 1502.00 NIST
Inp 1519.00 NIST
Inp 1509.00 NIST
Inp 1519.00 NIST
Inp 1519.00 NIST
Inp 1502.00 NIST
Inp 1511.00 NIST
Inp 1509.00 NIST
I [2270.00; 2330.00]   Show Hide
I 2280.00 NIST
I 2327.00 NIST
I 2327.00 NIST
I 2316.00 NIST
I 2316.00 NIST
I 2317.00 NIST
I 2321.00 NIST
I 2294.00 NIST
I Outlier 2270.00 NIST
I 2327.00 NIST
I 2318.00 NIST
I 2312.00 NIST
I 2330.00 NIST
I 2330.00 NIST
I 2330.00 NIST
I 2277.00 NIST
I 2315.00 NIST
I 2321.00 NIST
I 2280.00 NIST
I 2317.00 NIST
Tboil [536.70; 538.20] K Show Hide
Tboil 538.20 K NIST
Tboil 536.70 K NIST
Tc 855.78 K Joback Calculated Property
Tfus 403.04 K Joback Calculated Property
Vc 0.655 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [511.15; 601.25] J/mol×K [625.54; 855.78] Show Hide
Cp,gas 511.15 J/mol×K 625.54 Joback Calculated Property
Cp,gas 528.92 J/mol×K 663.91 Joback Calculated Property
Cp,gas 545.39 J/mol×K 702.29 Joback Calculated Property
Cp,gas 560.71 J/mol×K 740.66 Joback Calculated Property
Cp,gas 575.03 J/mol×K 779.03 Joback Calculated Property
Cp,gas 588.49 J/mol×K 817.41 Joback Calculated Property
Cp,gas 601.25 J/mol×K 855.78 Joback Calculated Property
η [0.0000185; 0.0010791] Pa×s [403.04; 625.54] Show Hide
η 0.0010791 Pa×s 403.04 Joback Calculated Property
η 0.0004121 Pa×s 440.12 Joback Calculated Property
η 0.0001828 Pa×s 477.21 Joback Calculated Property
η 0.0000911 Pa×s 514.29 Joback Calculated Property
η 0.0000499 Pa×s 551.37 Joback Calculated Property
η 0.0000295 Pa×s 588.46 Joback Calculated Property
η 0.0000185 Pa×s 625.54 Joback Calculated Property
ΔsubH 86.10 ± 0.30 kJ/mol 307.50 NIST
ΔvapH [60.10; 69.20] kJ/mol [350.50; 470.00] Show Hide
ΔvapH 69.20 ± 0.50 kJ/mol 350.50 NIST
ΔvapH 60.10 kJ/mol 470.00 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 419.20 K 2.70 NIST

Similar Compounds

Phenol, 2-(1,1-dimethylethyl)-4-methyl-. Phenol, 2-(1,1-dimethylethyl)-. Phenol, 2,4,6-tri-tert-butyl-. Phenol, 2,6-bis(1,1-dimethylethyl)-. Phenol, 4,4'-isopropylidene bis(2-tert-butyl)-. 1,2-Benzenediol, 3,5-bis(1,1-dimethylethyl)-. Phenol, 2,4-bis(1,1-dimethylpropyl)-. t-Butylhydroquinone. Benzonitrile, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-. Phenol, 2,5-bis(1,1-dimethylethyl)-. Phenol, 4-(1,1-dimethylethyl)-2-methyl-. 4-Bromo-2-t-butyl phenol. 3-tert-Butyl-4-hydroxyanisole. Phenol, 4,6-di(1,1-dimethylethyl)-2-methyl-. Butylated Hydroxytoluene.

Find more compounds similar to 2,4-Di-tert-butylphenol.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.