Chemical Properties of Phenol, 2,6-bis(1,1-dimethylethyl)- (CAS 128-39-2)

Phenol, 2,6-bis(1,1-dimethylethyl)-

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InChI
InChI=1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3
InChI Key
DKCPKDPYUFEZCP-UHFFFAOYSA-N
Formula
C14H22O
SMILES
CC(C)(C)c1cccc(C(C)(C)C)c1O
Molecular Weight1
206.32
CAS
128-39-2
Other Names
  • 2,6-(1,1-Dimethylethyl)phenol
  • 2,6-Bis(1,1-dimethylethyl)phenol
  • 2,6-Bis(t-butyl)phenol
  • 2,6-Bis(tert-butyl)phenol
  • 2,6-DTBP
  • 2,6-Di-tert-butylphenol
  • 2,6-di(1,1-dimethylethyl)phenol
  • 2,6-di-t-Butylphenol
  • AN 701
  • Ethanox 701
  • Ethyl 701
  • Ethyl AN 701
  • Hitec 4701
  • Isonox 103
  • NSC 49175
  • Phenol, 2,4-di-tert.-butyl
  • Phenol, 2,6-bis(t-butyl)
  • Phenol, 2,6-di-tert-butyl-
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Physical Properties

Property Value Unit Source
Δcsolid -8280.00 kJ/mol NIST
Δf 20.84 kJ/mol Joback Calculated Property
Δfgas -262.00 kJ/mol NIST
Δfsolid -370.00 kJ/mol NIST
Δfus 16.62 kJ/mol Joback Calculated Property
Δsub [81.50; 110.90] kJ/mol Show Hide
Δsub 81.50 ± 2.30 kJ/mol NIST
Δsub 84.60 ± 0.50 kJ/mol NIST
Δsub 110.90 kJ/mol NIST
Δsub 108.00 kJ/mol NIST
Δvap 66.00 ± 0.20 kJ/mol NIST
IE [7.70; 8.15] eV Show Hide
IE 7.70 ± 0.02 eV NIST
IE 8.15 eV 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 [1433.60; 1444.00]   Show Hide
Inp 1433.60 NIST
Inp 1440.10 NIST
Inp 1443.20 NIST
Inp 1433.60 NIST
Inp 1440.10 NIST
Inp 1443.20 NIST
Inp 1444.00 NIST
Inp 1433.60 NIST
Inp 1443.20 NIST
I [2327.00; 2327.00]   Show Hide
I 2327.00 NIST
I 2327.00 NIST
Tboil 526.20 K NIST
Tc 855.78 K Joback Calculated Property
Tfus [310.50; 311.00] K Show Hide
Tfus 311.00 ± 0.20 K NIST
Tfus 310.50 ± 0.50 K NIST
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
ΔfusH [16.57; 16.57] kJ/mol [310.70; 310.70] Show Hide
ΔfusH 16.57 kJ/mol 310.70 NIST
ΔfusH 16.57 kJ/mol 310.70 NIST
ΔvapH [60.40; 63.50] kJ/mol [340.50; 458.00] Show Hide
ΔvapH 63.50 ± 0.20 kJ/mol 340.50 NIST
ΔvapH 60.40 kJ/mol 458.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [402.25; 594.02] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.35468e+01
Coefficient B-4.16824e+03
Coefficient C-8.78810e+01
Temperature range, min.402.25
Temperature range, max.594.02
Pvap 1.33 kPa 402.25 Calculated Property
Pvap 3.09 kPa 423.56 Calculated Property
Pvap 6.49 kPa 444.87 Calculated Property
Pvap 12.53 kPa 466.17 Calculated Property
Pvap 22.55 kPa 487.48 Calculated Property
Pvap 38.24 kPa 508.79 Calculated Property
Pvap 61.62 kPa 530.10 Calculated Property
Pvap 95.04 kPa 551.40 Calculated Property
Pvap 141.10 kPa 572.71 Calculated Property
Pvap 202.64 kPa 594.02 Calculated Property

Similar Compounds

Phenol, 2-(1,1-dimethylethyl)-. Phenol, 2-(1,1-dimethylethyl)-6-methyl-. 2,4-Di-tert-butylphenol. Phenol, 2,4,6-tri-tert-butyl-. 2-(1,1-Dimethylethyl)-6-(1-methylethyl)phenol. Benzonitrile, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-. Phenol, 2,5-bis(1,1-dimethylethyl)-. Butylated Hydroxytoluene. Phenol, 2-chloro-6-(1,1-dimethylethyl)-. Phenol, 2-(1,1-dimethylethyl)-4-methyl-. 3,5-di-tert-Butyl-4-hydroxyanisole. Propofol. 1,2-Benzenediol, 3,5-bis(1,1-dimethylethyl)-. Phenol, 2-(1,1-dimethylethyl)-5-methyl-. t-Butylhydroquinone.

Find more compounds similar to Phenol, 2,6-bis(1,1-dimethylethyl)-.

Sources

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