Chemical Properties of (1,1,3,3-tetramethylbutyl)phenol (CAS 27193-28-8)

(1,1,3,3-tetramethylbutyl)phenol

InChI
InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-7-6-8-12(15)9-11/h6-9,15H,10H2,1-5H3
InChI Key
VHSOMXOOWFXZSD-UHFFFAOYSA-N
Formula
C14H22O
SMILES
CC(C)(C)CC(C)(C)c1cccc(O)c1
Molecular Weight1
206.32
CAS
27193-28-8
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Physical Properties

Property Value Unit Source
ω 0.5910 Relay (1.0) Calculated Property
ΔfG° 30.47 kJ/mol Joback Calculated Property
ΔfH°gas -274.43 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 17.01 kJ/mol Joback Calculated Property
ΔvapH° 80.14 kJ/mol Relay (1.0) Calculated Property
IE 8.32 eV Relay (1.0) Calculated Property
log10WS -4.22 Relay (1.0) Calculated Property
logPoct/wat 4.106 Crippen Calculated Property
McVol 190.230 ml/mol McGowan Calculated Property
Pc 2393.53 kPa Joback Calculated Property
Tboil 561.62 K Relay (1.0) Calculated Property
Tc 777.79 K Relay (1.0) Calculated Property
Tfus 357.10 K Relay (1.0) Calculated Property
Vc 0.659 m3/kmol Relay (1.0) Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [259.19; 648.43] 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-1.01609e+02
Coefficient B1.66120e+00
Coefficient C-1.36896e-03
Coefficient D4.57800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 259.19 J/mol×K 273.00 Calculated Property
Cp,gas 335.02 J/mol×K 353.78 Calculated Property
Cp,gas 399.33 J/mol×K 434.56 Calculated Property
Cp,gas 453.56 J/mol×K 515.33 Calculated Property
Cp,gas 499.17 J/mol×K 596.11 Calculated Property
Cp,gas 537.59 J/mol×K 676.89 Calculated Property
Cp,gas 570.28 J/mol×K 757.67 Calculated Property
Cp,gas 598.69 J/mol×K 838.44 Calculated Property
Cp,gas 624.25 J/mol×K 919.22 Calculated Property
Cp,gas 648.43 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0016156; 0.0000268] Pa×s [390.52; 595.09] 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-1.83505e+01
Coefficient B4.65596e+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.390.52
Temperature range, max.595.09
η 0.0016156 Pa×s 390.52 Calculated Property
η 0.0008385 Pa×s 413.25 Calculated Property
η 0.0004660 Pa×s 435.98 Calculated Property
η 0.0002745 Pa×s 458.71 Calculated Property
η 0.0001700 Pa×s 481.44 Calculated Property
η 0.0001099 Pa×s 504.17 Calculated Property
η 0.0000738 Pa×s 526.90 Calculated Property
η 0.0000512 Pa×s 549.63 Calculated Property
η 0.0000366 Pa×s 572.36 Calculated Property
η 0.0000268 Pa×s 595.09 Calculated Property

Similar Compounds

4-tert-octylphenol. Phenol, 2-(1,1,3,3-tetramethylbutyl)-. Phenol, 4-(1,1,2,2-tetramethylpentyl). Phenol, 4-(1,1,3,3-tetramethylpentyl). Phenol, 4-(1-ethyl-1,3,3-trimethylbutyl). Phenol, 2-methyl-4-(1,1,3,3-tetramethylbutyl)-. Bis[4-(1,1,3,3-tetramethylbutyl)phenyl] ether. Phenol, 4-(1,3-dimethyl-1-propylbutyl). Phenol, 4-(1,1,2,3,3-pentamethylbutyl). Phenol, 4-(1,1,4,4-tetramethylpentyl). Phenol, 4-(1,1-diethyl-3-methylbutyl). Phenol, 4-(3-ethyl-1,1-dimethylpentyl). Phenol, 4-(1,1,3-trimethylhexyl). 4(1,1-Dimethylhexyl)phenol. Phenol, 4-(1,1,5-trimethylhexyl).

Find more compounds similar to (1,1,3,3-tetramethylbutyl)phenol.

Sources

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