Chemical Properties of Phenol, p-tert-butyl- (CAS 98-54-4)

Phenol, p-tert-butyl-

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InChI
InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
InChI Key
QHPQWRBYOIRBIT-UHFFFAOYSA-N
Formula
C10H14O
SMILES
CC(C)(C)c1ccc(O)cc1
Molecular Weight1
150.22
CAS
98-54-4
Other Names
  • 1-Hydroxy-4-tert-butylbenzene
  • 4-(1,1-Dimethylethyl)phenol
  • 4-TERT-BUTYLPHENOL
  • 4-t-Butylphenol
  • BUTYLPHEN
  • NSC 3697
  • PTBP
  • Phenol, 4-(1,1-dimethylethyl)-
  • Phenol, 4-tert-butyl-
  • p-t-Butylphenol
  • p-terc.Butylfenol
  • p-tert-Butylphenol
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Physical Properties

Property Value Unit Source
Δcsolid [-5669.00; -5625.80] kJ/mol Show Hide
Δcsolid -5625.80 ± 1.20 kJ/mol NIST
Δcsolid -5669.00 kJ/mol NIST
Δf -6.05 kJ/mol Joback Calculated Property
Δfgas [-214.80; -174.30] kJ/mol Show Hide
Δfgas -186.20 kJ/mol NIST
Δfgas -214.80 kJ/mol NIST
Δfgas -174.30 kJ/mol NIST
Δfsolid [-310.50; -270.00] kJ/mol Show Hide
Δfsolid -310.50 ± 1.20 kJ/mol NIST
Δfsolid -270.00 kJ/mol NIST
Δfus 14.07 kJ/mol Joback Calculated Property
Δsub [85.90; 95.70] kJ/mol Show Hide
Δsub 89.40 ± 2.50 kJ/mol NIST
Δsub 85.90 ± 0.50 kJ/mol NIST
Δsub 93.43 kJ/mol NIST
Δsub 95.70 kJ/mol NIST
Δvap 67.90 ± 1.00 kJ/mol NIST
IE [7.80; 8.16] eV Show Hide
IE 7.80 eV NIST
IE 8.16 eV NIST
log10WS [-2.41; -2.41]   Show Hide
log10WS -2.41 Aq. Sol...
log10WS -2.41 Estimat...
logPoct/wat 2.690 Crippen Calculated Property
McVol 133.870 ml/mol McGowan Calculated Property
Pc 3547.31 kPa Joback Calculated Property
Inp [1256.00; 1297.80]   Show Hide
Inp 1274.00 NIST
Inp 1256.00 NIST
Inp 1294.70 NIST
Inp 1295.60 NIST
Inp 1297.80 NIST
Inp 1297.00 NIST
Inp 1292.00 NIST
Inp 1291.00 NIST
Inp 1265.00 NIST
Inp 1261.00 NIST
Inp 1274.00 NIST
Tboil 532.27 K Joback Calculated Property
Tc 765.16 K Joback Calculated Property
Tfus 372.03 K Aq. Sol...
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
ΔfusH [14.52; 14.52] kJ/mol [373.20; 373.20] Show Hide
ΔfusH 14.52 kJ/mol 373.20 NIST
ΔfusH 14.52 kJ/mol 373.20 NIST
ΔsubH [84.30; 85.00] kJ/mol [292.00; 313.50] Show Hide
ΔsubH 84.30 kJ/mol 292.00 NIST
ΔsubH 85.00 ± 0.50 kJ/mol 313.50 NIST
ΔvapH [49.90; 59.60] kJ/mol [434.50; 498.00] Show Hide
ΔvapH 59.60 kJ/mol 434.50 NIST
ΔvapH 57.60 kJ/mol 434.50 NIST
ΔvapH 56.60 kJ/mol 434.50 NIST
ΔvapH 54.40 kJ/mol 434.50 NIST
ΔvapH 49.90 kJ/mol 434.50 NIST
ΔvapH 54.30 kJ/mol 498.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [0.51; 202.65] kPa [371.95; 542.22] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.54499e+01
Coefficient B-4.64835e+03
Coefficient C-8.37310e+01
Temperature range, min.371.95
Temperature range, max.542.22
Pvap 0.51 kPa 371.95 Calculated Property
Pvap 1.37 kPa 390.87 Calculated Property
Pvap 3.30 kPa 409.79 Calculated Property
Pvap 7.21 kPa 428.71 Calculated Property
Pvap 14.53 kPa 447.63 Calculated Property
Pvap 27.31 kPa 466.54 Calculated Property
Pvap 48.38 kPa 485.46 Calculated Property
Pvap 81.41 kPa 504.38 Calculated Property
Pvap 130.99 kPa 523.30 Calculated Property
Pvap 202.65 kPa 542.22 Calculated Property
Pvap [0.55; 3283.38] kPa [371.56; 734.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.50423e+02
Coefficient B-1.41269e+04
Coefficient C-1.92734e+01
Coefficient D7.60351e-06
Temperature range, min.371.56
Temperature range, max.734.00
Pvap 0.55 kPa 371.56 Calculated Property
Pvap 3.94 kPa 411.83 Calculated Property
Pvap 18.06 kPa 452.10 Calculated Property
Pvap 59.97 kPa 492.37 Calculated Property
Pvap 157.87 kPa 532.64 Calculated Property
Pvap 350.68 kPa 572.92 Calculated Property
Pvap 687.59 kPa 613.19 Calculated Property
Pvap 1230.15 kPa 653.46 Calculated Property
Pvap 2058.55 kPa 693.73 Calculated Property
Pvap 3283.38 kPa 734.00 Calculated Property

Similar Compounds

Phenol, m-tert-butyl-. p-tert.-Butylcatechol. Benzene, 1-(1,1-dimethylethyl)-4-methoxy-. 4-tert-Butyl-2-chlorophenol. Phenol, 2-bromo-4-(1,1-dimethylethyl)-. p-Cumenol. Isopropylphenol. Phenol, 4-(1,1-dimethylpropyl)-. Phenol, 2-(1,1-dimethylethyl)-. 2,4-Di-tert-butylphenol. 4-Tert-butylphenyl propargyl ether. Phenol, 4,4'-(1-methylethylidene)bis-. Phenol, 4-(1,1-dimethylethyl)-, phosphate (3:1). Benzene, 1-(1,1-dimethylethyl)-4-ethoxy-. Phenol, 4-(1,1-dimethylethyl)-2-methyl-.

Find more compounds similar to Phenol, p-tert-butyl-.

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