Chemical Properties of Phenol, 3,5-bis(1,1-dimethylethyl)- (CAS 1138-52-9)

Phenol, 3,5-bis(1,1-dimethylethyl)-

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InChI
InChI=1S/C14H22O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9,15H,1-6H3
InChI Key
ZDWSNKPLZUXBPE-UHFFFAOYSA-N
Formula
C14H22O
SMILES
CC(C)(C)c1cc(O)cc(C(C)(C)C)c1
Molecular Weight1
206.32
CAS
1138-52-9
Other Names
  • 3,5-Di-t-butylphenol
  • 3,5-Di-tert-butylphenol
  • 3,5-bis(1,1-Dimethylethyl)phenol
  • Phenol, 3,5-bis(t-butyl)
  • Phenol, 3,5-di-tert-butyl-
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Physical Properties

Property Value Unit Source
Δcsolid -8242.00 kJ/mol NIST
Δf 20.84 kJ/mol Joback Calculated Property
Δfgas -300.00 kJ/mol NIST
Δfsolid -410.00 kJ/mol NIST
Δfus 16.62 kJ/mol Joback Calculated Property
Δsub [97.70; 110.00] kJ/mol Show Hide
Δsub 97.70 ± 3.70 kJ/mol NIST
Δsub 110.00 kJ/mol NIST
Δsub 110.00 kJ/mol NIST
Δvap 60.12 kJ/mol Joback Calculated Property
IE 7.90 ± 0.02 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
I [2310.00; 2328.00]   Show Hide
I 2310.00 NIST
I 2328.00 NIST
Tboil 625.54 K Joback Calculated Property
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 68.20 kJ/mol 313.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [404.00; 593.33] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.36835e+01
Coefficient B-4.22655e+03
Coefficient C-8.84900e+01
Temperature range, min.404.00
Temperature range, max.593.33
Pvap 1.33 kPa 404.00 Calculated Property
Pvap 3.08 kPa 425.04 Calculated Property
Pvap 6.45 kPa 446.07 Calculated Property
Pvap 12.43 kPa 467.11 Calculated Property
Pvap 22.38 kPa 488.15 Calculated Property
Pvap 37.97 kPa 509.18 Calculated Property
Pvap 61.27 kPa 530.22 Calculated Property
Pvap 94.66 kPa 551.26 Calculated Property
Pvap 140.81 kPa 572.29 Calculated Property
Pvap 202.65 kPa 593.33 Calculated Property

Similar Compounds

Phenol, m-tert-butyl-. Phenol, 2,4-bis-(1,1-dimethylethyl), TMS. Phenol, 3,5-bis(1-methylethyl)-. 3,5-Diisopropylphenol. 1,2-Benzenediol, 3,5-bis(1,1-dimethylethyl)-. p-tert.-Butylcatechol. 2,6-Ditert-buthyl-4-hydroxy toluene. 5-tert-Butylpyrogallol. butacarb. 5-Isopropyl-3-methylphenol. Benzene, 1,3,5-tri-tert-butyl-. 2,4-Di-tert-butylphenol. t-Butylhydroquinone. Phenol, 2,5-bis(1,1-dimethylethyl)-. 3,5-di-tert-Butyl-4-hydroxyanisole.

Find more compounds similar to Phenol, 3,5-bis(1,1-dimethylethyl)-.

Sources

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