Chemical Properties of Phenol, 2-(1,1-dimethylethyl)-6-methyl- (CAS 2219-82-1)

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

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InChI
InChI=1S/C11H16O/c1-8-6-5-7-9(10(8)12)11(2,3)4/h5-7,12H,1-4H3
InChI Key
BKZXZGWHTRCFPX-UHFFFAOYSA-N
Formula
C11H16O
SMILES
Cc1cccc(C(C)(C)C)c1O
Molecular Weight1
164.24
CAS
2219-82-1
Other Names
  • 2-Methyl-6-tert-butylphenol
  • 2-tert-Butyl-6-Methylphenol
  • 6-tert-Butyl-2-Methylphenol
  • 6-tert-Butyl-o-Cresol
  • Phenol, 2-tert-butyl-6-methyl-
  • o-Cresol, 6-tert-butyl-
  • o-tert-Butyl-o-cresol
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Physical Properties

Property Value Unit Source
Δf -7.26 kJ/mol Joback Calculated Property
Δfgas -231.37 kJ/mol Joback Calculated Property
Δfus 16.27 kJ/mol Joback Calculated Property
Δvap 63.80 ± 0.50 kJ/mol NIST
log10WS -2.81 Crippen Calculated Property
logPoct/wat 2.998 Crippen Calculated Property
McVol 147.960 ml/mol McGowan Calculated Property
Pc 3121.00 kPa Joback Calculated Property
Inp [1277.70; 1313.50]   Show Hide
Inp Outlier 1277.70 NIST
Inp 1313.50 NIST
Inp 1305.30 NIST
Inp 1308.00 NIST
Inp 1311.70 NIST
Inp 1313.50 NIST
I 1910.00 NIST
Tboil 503.20 K NIST
Tc 789.71 K Joback Calculated Property
Tfus 366.81 K Joback Calculated Property
Vc 0.498 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [360.74; 437.54] J/mol×K [560.13; 789.71] Show Hide
Cp,gas 360.74 J/mol×K 560.13 Joback Calculated Property
Cp,gas 375.98 J/mol×K 598.39 Joback Calculated Property
Cp,gas 390.09 J/mol×K 636.66 Joback Calculated Property
Cp,gas 403.20 J/mol×K 674.92 Joback Calculated Property
Cp,gas 415.40 J/mol×K 713.18 Joback Calculated Property
Cp,gas 426.81 J/mol×K 751.44 Joback Calculated Property
Cp,gas 437.54 J/mol×K 789.71 Joback Calculated Property
η [0.0000425; 0.0019771] Pa×s [366.81; 560.13] Show Hide
η 0.0019771 Pa×s 366.81 Joback Calculated Property
η 0.0008050 Pa×s 399.03 Joback Calculated Property
η 0.0003749 Pa×s 431.25 Joback Calculated Property
η 0.0001942 Pa×s 463.47 Joback Calculated Property
η 0.0001095 Pa×s 495.69 Joback Calculated Property
η 0.0000663 Pa×s 527.91 Joback Calculated Property
η 0.0000425 Pa×s 560.13 Joback Calculated Property
ΔfusH 17.32 kJ/mol 302.50 NIST
ΔvapH [55.20; 62.20] kJ/mol [325.50; 440.00] Show Hide
ΔvapH 62.20 ± 0.50 kJ/mol 325.50 NIST
ΔvapH 55.20 kJ/mol 440.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [382.52; 557.27] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.39789e+01
Coefficient B-4.12786e+03
Coefficient C-8.10260e+01
Temperature range, min.382.52
Temperature range, max.557.27
Pvap 1.33 kPa 382.52 Calculated Property
Pvap 3.05 kPa 401.94 Calculated Property
Pvap 6.36 kPa 421.35 Calculated Property
Pvap 12.24 kPa 440.77 Calculated Property
Pvap 22.02 kPa 460.19 Calculated Property
Pvap 37.43 kPa 479.60 Calculated Property
Pvap 60.55 kPa 499.02 Calculated Property
Pvap 93.87 kPa 518.44 Calculated Property
Pvap 140.19 kPa 537.85 Calculated Property
Pvap 202.63 kPa 557.27 Calculated Property

Similar Compounds

2-(1,1-Dimethylethyl)-6-(1-methylethyl)phenol. Phenol, 4,6-di(1,1-dimethylethyl)-2-methyl-. 2-tert-Butyl-6-methylphenol, methyl ether. 2-Methyl-6-t-butylanisole. Phenol, 2,6-bis(1,1-dimethylethyl)-. 6-tert-Butyl-2,4-dimethylphenol. Phenol, 2-(1,1-dimethylethyl)-4-methyl-. Propofol. 2-Allyl-6-t-butylphenol. Butylated Hydroxytoluene. 2-tert-Butyl-6-methylphenol, trimethylsilyl ether. 4,4'-Methylenebis(6-tert-butyl-o-cresol). Phenol, 2-(1,1-dimethylethyl)-5-methyl-. Phenol, 2-ethyl-6-methyl-. Phenol, 4-(1,1-dimethylethyl)-2-methyl-.

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

Sources

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