Chemical Properties of Phenol, 2-(1,1-dimethylethyl)- (CAS 88-18-6)

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

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InChI
InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3
InChI Key
WJQOZHYUIDYNHM-UHFFFAOYSA-N
Formula
C10H14O
SMILES
CC(C)(C)c1ccccc1O
Molecular Weight1
150.22
CAS
88-18-6
Other Names
  • 2-(1,1-Dimethylethyl)-phenol
  • 2-(1,1-dimethylethyl)phenol
  • 2-t-Butylphenol
  • 2-tert-Butylphenol
  • 2-tert-butyl-1-hydroxybenzene
  • Phenol, 2-tert-butyl-
  • Phenol, o-tert-butyl-
  • o-tert-Butylphenol
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Physical Properties

Property Value Unit Source
Δcliquid -5660.10 kJ/mol NIST
Δf -6.05 kJ/mol Joback Calculated Property
Δfgas -199.10 kJ/mol NIST
Δfliquid -280.00 kJ/mol NIST
Δfus 14.07 kJ/mol Joback Calculated Property
Δvap [63.20; 80.90] kJ/mol Show Hide
Δvap 63.20 ± 0.20 kJ/mol NIST
Δvap 77.03 kJ/mol NIST
Δvap 80.90 kJ/mol NIST
IE [8.10; 8.40] eV Show Hide
IE 8.10 ± 0.02 eV NIST
IE 8.40 eV NIST
log10WS -2.33 Crippen Calculated Property
logPoct/wat 2.690 Crippen Calculated Property
McVol 133.870 ml/mol McGowan Calculated Property
Pc 3547.31 kPa Joback Calculated Property
Inp [1247.00; 1274.90]   Show Hide
Inp 1250.00 NIST
Inp 1249.00 NIST
Inp 1273.20 NIST
Inp 1273.50 NIST
Inp 1274.90 NIST
Inp 1247.00 NIST
Inp 1249.00 NIST
Inp 1250.00 NIST
I [2161.00; 2161.00]   Show Hide
I 2161.00 NIST
I 2161.00 NIST
Tboil [497.06; 497.20] K Show Hide
Tboil 497.20 K NIST
Tboil 497.06 ± 0.01 K NIST
Tc 765.16 K Joback Calculated Property
Tfus 267.53 ± 0.05 K NIST
Vc 0.443 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [314.96; 388.58] J/mol×K [532.27; 765.16] Show Hide
Cp,gas 314.96 J/mol×K 532.27 Joback Calculated Property
Cp,gas 329.85 J/mol×K 571.08 Joback Calculated Property
Cp,gas 343.53 J/mol×K 609.90 Joback Calculated Property
Cp,gas 356.13 J/mol×K 648.71 Joback Calculated Property
Cp,gas 367.75 J/mol×K 687.53 Joback Calculated Property
Cp,gas 378.53 J/mol×K 726.34 Joback Calculated Property
Cp,gas 388.58 J/mol×K 765.16 Joback Calculated Property
η [0.0000583; 0.0038345] Pa×s [343.02; 532.27] Show Hide
η 0.0038345 Pa×s 343.02 Joback Calculated Property
η 0.0014227 Pa×s 374.56 Joback Calculated Property
η 0.0006157 Pa×s 406.10 Joback Calculated Property
η 0.0003007 Pa×s 437.64 Joback Calculated Property
η 0.0001617 Pa×s 469.19 Joback Calculated Property
η 0.0000940 Pa×s 500.73 Joback Calculated Property
η 0.0000583 Pa×s 532.27 Joback Calculated Property
ΔvapH [47.00; 74.10] kJ/mol [309.00; 438.00] Show Hide
ΔvapH 62.60 ± 0.20 kJ/mol 309.00 NIST
ΔvapH 47.00 kJ/mol 418.50 NIST
ΔvapH 55.60 kJ/mol 418.50 NIST
ΔvapH 53.90 kJ/mol 418.50 NIST
ΔvapH 51.00 kJ/mol 418.50 NIST
ΔvapH 54.90 kJ/mol 425.50 NIST
ΔvapH 52.90 kJ/mol 437.00 NIST
ΔvapH 74.10 kJ/mol 438.00 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboil [418.50; 479.20] K [9.90; 64.61] Show Hide
Tboil 418.50 K 9.90 Applica...
Tboil 438.60 K 19.82 Applica...
Tboil 451.70 K 29.75 Applica...
Tboil 469.40 K 49.63 Applica...
Tboil 479.20 K 64.61 Applica...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [377.78; 525.83] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.54375e+01
Coefficient B-4.52080e+03
Coefficient C-7.93800e+01
Temperature range, min.377.78
Temperature range, max.525.83
Pvap 1.33 kPa 377.78 Calculated Property
Pvap 2.94 kPa 394.23 Calculated Property
Pvap 6.00 kPa 410.68 Calculated Property
Pvap 11.44 kPa 427.13 Calculated Property
Pvap 20.59 kPa 443.58 Calculated Property
Pvap 35.20 kPa 460.03 Calculated Property
Pvap 57.57 kPa 476.48 Calculated Property
Pvap 90.54 kPa 492.93 Calculated Property
Pvap 137.56 kPa 509.38 Calculated Property
Pvap 202.64 kPa 525.83 Calculated Property

Similar Compounds

2,4-Di-tert-butylphenol. Phenol, 2,6-bis(1,1-dimethylethyl)-. t-Butylhydroquinone. Phenol, 2,5-bis(1,1-dimethylethyl)-. 2-Tert-butyl-4-chlorophenol. 4-Bromo-2-t-butyl phenol. 3-tert-Butyl-4-hydroxyanisole. Phenol, 2-(1,1-dimethylethyl)-5-methyl-. 2-(1,1-dimethylpropyl)phenol. Phenol, 2-(1,1-dimethylethyl)-4-methyl-. Phenol, 2-chloro-6-(1,1-dimethylethyl)-. Phenol, 2-(1-methylethyl)-. Phenol, m-tert-butyl-. o-(tert-Butyl)anisole. Phenol, 2-(1,1-dimethylethyl)-6-methyl-.

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

Sources

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