Chemical Properties of Phenol, 4-(1,1-dimethylethyl)-2-methyl- (CAS 98-27-1)

Phenol, 4-(1,1-dimethylethyl)-2-methyl-

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InChI
InChI=1S/C11H16O/c1-8-7-9(11(2,3)4)5-6-10(8)12/h5-7,12H,1-4H3
InChI Key
SNKLPZOJLXDZCW-UHFFFAOYSA-N
Formula
C11H16O
SMILES
Cc1cc(C(C)(C)C)ccc1O
Molecular Weight1
164.24
CAS
98-27-1
Other Names
  • 2-Methyl-4-tert-butylphenol
  • 4-tert-Butyl-2-Methylphenol
  • 4-tert-Butyl-o-Cresol
  • Phenol, 4-tert-butyl-2-methyl-
  • o-Cresol, 4-tert-butyl-
  • p-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 72.10 ± 0.60 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 1333.60 NIST
Tboil 560.13 K Joback Calculated Property
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
ΔvapH [46.70; 75.70] kJ/mol [286.00; 439.50] Show Hide
ΔvapH 75.70 kJ/mol 286.00 NIST
ΔvapH 71.30 ± 0.60 kJ/mol 312.00 NIST
ΔvapH 61.50 kJ/mol 433.50 NIST
ΔvapH 55.70 kJ/mol 439.50 NIST
ΔvapH 53.90 kJ/mol 439.50 NIST
ΔvapH 53.20 kJ/mol 439.50 NIST
ΔvapH 50.90 kJ/mol 439.50 NIST
ΔvapH 46.70 kJ/mol 439.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [388.12; 555.17] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.44886e+01
Coefficient B-4.33342e+03
Coefficient C-8.29720e+01
Temperature range, min.388.12
Temperature range, max.555.17
Pvap 1.33 kPa 388.12 Calculated Property
Pvap 3.01 kPa 406.68 Calculated Property
Pvap 6.22 kPa 425.24 Calculated Property
Pvap 11.93 kPa 443.80 Calculated Property
Pvap 21.47 kPa 462.36 Calculated Property
Pvap 36.58 kPa 480.93 Calculated Property
Pvap 59.42 kPa 499.49 Calculated Property
Pvap 92.62 kPa 518.05 Calculated Property
Pvap 139.21 kPa 536.61 Calculated Property
Pvap 202.65 kPa 555.17 Calculated Property

Similar Compounds

4-Isopropyl-2-methylphenol. Phenol, 4-isopropyl-2-methyl (Isocarvacrol). Benzaldehyde, 2-hydroxy, 5-(t-butyl). Phenol, 2-(1,1-dimethylethyl)-4-methyl-. benzaldehyde oxime, 2-hydroxy, 5-(t-butyl). Bisphenol C. Phenol, 2-methyl-4-(1,1,3,3-tetramethylbutyl)-. Phenol, 4,6-di(1,1-dimethylethyl)-2-methyl-. 4-Hydroxy-3-methylacetophenone. Phenol, 4-ethyl-2-methyl-. 2,4-Di-tert-butylphenol. Phenol, 2-(1,1-dimethylethyl)-6-methyl-. 6-tert-Butyl-2,4-dimethylphenol. 2-Methyl-4-propylphenol. Phenol, 4-methyl-2-(1-methylethyl)-.

Find more compounds similar to Phenol, 4-(1,1-dimethylethyl)-2-methyl-.

Sources

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