Chemical Properties of Phenol, 2,4,6-trimethyl- (CAS 527-60-6)

Phenol, 2,4,6-trimethyl-

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InChI
InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3
InChI Key
BPRYUXCVCCNUFE-UHFFFAOYSA-N
Formula
C9H12O
SMILES
Cc1cc(C)c(O)c(C)c1
Molecular Weight1
136.19
CAS
527-60-6
Other Names
  • 1-Hydroxy-2,4,6-trimethylbenzene
  • 2,4,6-TRIMETHYL PHENOL
  • 2,4,6-Trimethylphenol
  • 2,4,6-Trimetylofenol
  • 2-Hydroxymesitylene
  • Mesitol
  • Mesityl alcohol
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Physical Properties

Property Value Unit Source
Δf -36.57 kJ/mol Joback Calculated Property
Δfgas [-263.70; -176.90] kJ/mol Show Hide
Δfgas -263.70 kJ/mol NIST
Δfgas -176.90 kJ/mol NIST
Δfus 18.11 kJ/mol Joback Calculated Property
Δsub [82.80; 95.02] kJ/mol Show Hide
Δsub 82.80 ± 0.30 kJ/mol NIST
Δsub 95.00 kJ/mol NIST
Δsub 95.02 kJ/mol NIST
Δsub 93.10 kJ/mol NIST
Δvap 52.24 kJ/mol Joback Calculated Property
IE 8.00 eV NIST
log10WS [-2.05; -2.05]   Show Hide
log10WS -2.05 Aq. Sol...
log10WS -2.05 Estimat...
logPoct/wat 2.317 Crippen Calculated Property
McVol 119.780 ml/mol McGowan Calculated Property
Pc 3754.57 kPa Joback Calculated Property
Inp [202.50; 1229.00]   Show Hide
Inp 1220.00 NIST
Inp 1204.00 NIST
Inp 1202.50 NIST
Inp 1201.60 NIST
Inp 1199.10 NIST
Inp 1202.50 NIST
Inp 1204.10 NIST
Inp 1199.10 NIST
Inp 1202.50 NIST
Inp 1204.10 NIST
Inp 1202.50 NIST
Inp 1201.60 NIST
Inp 1204.00 NIST
Inp 1211.00 NIST
Inp 1212.90 NIST
Inp 1215.80 NIST
Inp 1229.00 NIST
Inp 1226.00 NIST
Inp 1171.00 NIST
Inp 1174.00 NIST
Inp 1184.00 NIST
Inp 1173.00 NIST
Inp 1204.00 NIST
Inp 1204.00 NIST
Inp 1205.00 NIST
Inp 1204.00 NIST
Inp Outlier 203.83 NIST
Inp Outlier 202.50 NIST
Inp Outlier 203.59 NIST
Inp 1204.00 NIST
Inp 1202.50 NIST
Inp 1199.10 NIST
Tboil [493.20; 494.15] K Show Hide
Tboil 493.20 K NIST
Tboil 494.15 ± 3.00 K NIST
Tc 747.15 K Joback Calculated Property
Tfus [341.15; 346.15] K Show Hide
Tfus 345.65 K Aq. Sol...
Tfus 346.15 K Liquid ...
Tfus 343.65 ± 2.00 K NIST
Tfus 343.90 ± 2.00 K NIST
Tfus 344.55 ± 2.00 K NIST
Tfus 345.40 ± 3.00 K NIST
Tfus 345.45 ± 1.50 K NIST
Tfus 345.25 ± 2.00 K NIST
Tfus Outlier 341.15 ± 4.00 K NIST
Tfus 345.65 ± 2.00 K NIST
Tfus 344.15 ± 2.00 K NIST
Tfus 342.15 ± 2.00 K NIST
Vc 0.398 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [266.77; 329.50] J/mol×K [522.58; 747.15] Show Hide
Cp,gas 266.77 J/mol×K 522.58 Joback Calculated Property
Cp,gas 278.94 J/mol×K 560.01 Joback Calculated Property
Cp,gas 290.34 J/mol×K 597.44 Joback Calculated Property
Cp,gas 301.03 J/mol×K 634.86 Joback Calculated Property
Cp,gas 311.07 J/mol×K 672.29 Joback Calculated Property
Cp,gas 320.54 J/mol×K 709.72 Joback Calculated Property
Cp,gas 329.50 J/mol×K 747.15 Joback Calculated Property
η [0.0000662; 0.0017439] Pa×s [354.37; 522.58] Show Hide
η 0.0017439 Pa×s 354.37 Joback Calculated Property
η 0.0008278 Pa×s 382.40 Joback Calculated Property
η 0.0004351 Pa×s 410.44 Joback Calculated Property
η 0.0002482 Pa×s 438.47 Joback Calculated Property
η 0.0001515 Pa×s 466.51 Joback Calculated Property
η 0.0000978 Pa×s 494.54 Joback Calculated Property
η 0.0000662 Pa×s 522.58 Joback Calculated Property
ΔvapH 53.20 kJ/mol 430.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [0.24; 202.66] kPa [345.15; 522.40] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.54349e+01
Coefficient B-4.49407e+03
Coefficient C-7.84680e+01
Temperature range, min.345.15
Temperature range, max.522.40
Pvap 0.24 kPa 345.15 Calculated Property
Pvap 0.77 kPa 364.84 Calculated Property
Pvap 2.12 kPa 384.54 Calculated Property
Pvap 5.15 kPa 404.23 Calculated Property
Pvap 11.31 kPa 423.93 Calculated Property
Pvap 22.82 kPa 443.62 Calculated Property
Pvap 42.84 kPa 463.32 Calculated Property
Pvap 75.63 kPa 483.01 Calculated Property
Pvap 126.67 kPa 502.71 Calculated Property
Pvap 202.66 kPa 522.40 Calculated Property
Pvap [1.32; 103.94] kPa [367.15; 494.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A6.88733e+01
Coefficient B-8.88021e+03
Coefficient C-7.60503e+00
Coefficient D3.74291e-06
Temperature range, min.367.15
Temperature range, max.494.15
Pvap 1.32 kPa 367.15 Calculated Property
Pvap 2.52 kPa 381.26 Calculated Property
Pvap 4.58 kPa 395.37 Calculated Property
Pvap 7.93 kPa 409.48 Calculated Property
Pvap 13.20 kPa 423.59 Calculated Property
Pvap 21.16 kPa 437.71 Calculated Property
Pvap 32.83 kPa 451.82 Calculated Property
Pvap 49.46 kPa 465.93 Calculated Property
Pvap 72.56 kPa 480.04 Calculated Property
Pvap 103.94 kPa 494.15 Calculated Property

Similar Compounds

Phenol, 2,4-dimethyl-. Phenol, 2,6-dimethyl-. 2-Hydroxy-5-methylisophthalaldehyde. 1,4-Benzenediol, 2,6-dimethyl-. Benzoic acid, 4-hydroxy-3,5-dimethyl-. 4-Chloro-2,6-dimethylphenol. Phenol, 4-bromo-2,6-dimethyl-. Phenol, 2,3,4,6-tetramethyl-. 1,3-Benzenedimethanol, 2-hydroxy-5-methyl-. Benzene, 2-methoxy-1,3,5-trimethyl-. 4-Hydroxy-3-methylbenzaldehyde. Phenol, 2,3,4-trimethyl-. 4-vinyl-2-methylphenol. 2-Hydroxy-5-methylbenzaldehyde. Phenol, 2,6-dimethyl-4-nitroso-.

Find more compounds similar to Phenol, 2,4,6-trimethyl-.

Mixtures

Sources

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