Chemical Properties of [1,1'-Biphenyl]-2-ol, 5-(1,1-dimethylethyl)-

[1,1'-Biphenyl]-2-ol, 5-(1,1-dimethylethyl)-

InChI
InChI=1S/C16H18O/c1-16(2,3)13-9-10-15(17)14(11-13)12-7-5-4-6-8-12/h4-11,17H,1-3H3
InChI Key
IYPYKRAEQZVXSC-UHFFFAOYSA-N
Formula
C16H18O
SMILES
CC(C)(C)c1ccc(O)c(-c2ccccc2)c1
Molecular Weight1
226.32
Other Names
  • Phenol, 4-tert-butyl-2-phenyl-
  • 2-Biphenylol, 5-tert-butyl-
  • 2-Phenyl-4-tert-butylphenol
  • 4-tert-Butyl-2-phenylphenol
  • 5-tert-Butyl-2-biphenol
  • 5-Tert-butyl[1,1'-biphenyl]-2-ol
  • 5-(1,1-dimethylethyl)[1,1'-biphenyl]-2-ol
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Physical Properties

Property Value Unit Source
ω 0.6074 Relay (1.0) Calculated Property
ΔfH°gas -100.13 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 23.26 kJ/mol Joback Calculated Property
ΔvapH° 92.03 kJ/mol Relay (1.0) Calculated Property
IE 7.71 eV Relay (1.0) Calculated Property
log10WS -4.82 Relay (1.0) Calculated Property
logPoct/wat 4.357 Crippen Calculated Property
McVol 194.650 ml/mol McGowan Calculated Property
Pc 2659.77 kPa Joback Calculated Property
Inp [2024.00; 2024.00]   Show Hide
Inp 2024.00 NIST
Inp 2024.00 NIST
Tboil 599.80 K Relay (1.0) Calculated Property
Tc 861.99 K Relay (1.0) Calculated Property
Tfus 342.29 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [248.37; 628.58] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-9.85600e+01
Coefficient B1.58696e+00
Coefficient C-1.27012e-03
Coefficient D4.10300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 248.37 J/mol×K 273.00 Calculated Property
Cp,gas 322.07 J/mol×K 353.78 Calculated Property
Cp,gas 384.88 J/mol×K 434.56 Calculated Property
Cp,gas 438.10 J/mol×K 515.33 Calculated Property
Cp,gas 483.02 J/mol×K 596.11 Calculated Property
Cp,gas 520.94 J/mol×K 676.89 Calculated Property
Cp,gas 553.16 J/mol×K 757.67 Calculated Property
Cp,gas 580.98 J/mol×K 838.44 Calculated Property
Cp,gas 605.68 J/mol×K 919.22 Calculated Property
Cp,gas 628.58 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0004476; 0.0000159] Pa×s [449.58; 668.36] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.79121e+01
Coefficient B4.58590e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.449.58
Temperature range, max.668.36
η 0.0004476 Pa×s 449.58 Calculated Property
η 0.0002652 Pa×s 473.89 Calculated Property
η 0.0001654 Pa×s 498.20 Calculated Property
η 0.0001078 Pa×s 522.51 Calculated Property
η 0.0000730 Pa×s 546.82 Calculated Property
η 0.0000511 Pa×s 571.13 Calculated Property
η 0.0000368 Pa×s 595.44 Calculated Property
η 0.0000272 Pa×s 619.75 Calculated Property
η 0.0000206 Pa×s 644.06 Calculated Property
η 0.0000159 Pa×s 668.36 Calculated Property

Similar Compounds

[1,1'-Biphenyl]-2-ol, 3-(1,1-dimethylethyl)-. 2,2'-Biphenol, 3,3',5,5'-tetrakis(1,1-dimethylethyl)-. [1,1'-Biphenyl]-2-yl 4-tert-butylphenyl phenyl phosphate. Di[1,1'-biphenyl]-2-yl 4-tert-butylphenyl phosphate. [1,1'-Biphenyl]-4-ol, 3,5-bis(1,1-dimethylethyl)-. Azulen-2-ol, 1,4-dimethyl-7-(1-methylethyl)-. Succinic acid, 2-biphenyl 4-isopropylphenyl ester. 3,3',5,5'-Tetratert-butyl-2'-(propionyloxy)[1,1'-biphenyl]-2-yl propionate. 3,3'-Di-tert-butylbiphenyl. 2'-(Acetyloxy)-3,3',5,5'-tetratert-butyl[1,1'-biphenyl]-2-yl acetate. 9H-Fluoren-3-ol, 9,9-dimethyl-. 3,6-Dihydroxy-9,9-dimethylfluorene. 4-([Bis(4-tert-butylphenoxy)phosphoryl]oxy)-1,1'-biphenyl. [1,1'-Biphenyl]-2,2'-diol, 3,3'-dimethoxy-5,5'-di-2-propenyl-. Succinic acid, phenethyl 2-biphenyl ester.

Find more compounds similar to [1,1'-Biphenyl]-2-ol, 5-(1,1-dimethylethyl)-.

Sources

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