Chemical Properties of Phenol, m-tert-butyl- (CAS 585-34-2)

Phenol, m-tert-butyl-

PDF Excel Molecule Calculator
InChI
InChI=1S/C10H14O/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7,11H,1-3H3
InChI Key
CYEKUDPFXBLGHH-UHFFFAOYSA-N
Formula
C10H14O
SMILES
CC(C)(C)c1cccc(O)c1
Molecular Weight1
150.22
CAS
585-34-2
Other Names
  • 3-t-Butylphenol
  • 3-tert-Butylphenol
  • Phenol, 3-(1,1-dimethylethyl)-
  • Phenol, 3-tert-butyl-
  • m-tert-Butylphenol
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δcsolid -5661.00 kJ/mol NIST
Δf -6.05 kJ/mol Joback Calculated Property
Δfgas [-185.20; -184.00] kJ/mol Show Hide
Δfgas -185.20 kJ/mol NIST
Δfgas -184.00 kJ/mol NIST
Δfsolid -280.00 kJ/mol NIST
Δfus 14.07 kJ/mol Joback Calculated Property
Δsub [86.00; 96.00] kJ/mol Show Hide
Δsub 88.90 ± 0.50 kJ/mol NIST
Δsub 86.00 ± 0.50 kJ/mol NIST
Δsub 92.05 kJ/mol NIST
Δsub 96.00 kJ/mol NIST
Δvap 71.30 ± 0.80 kJ/mol NIST
IE 8.40 eV NIST
log10WS -2.33 Crippen Calculated Property
logPoct/wat 2.690 Crippen Calculated Property
McVol 133.870 ml/mol McGowan Calculated Property
Pc 3547.31 kPa Joback Calculated Property
Inp [1267.00; 1296.70]   Show Hide
Inp 1294.70 NIST
Inp 1294.80 NIST
Inp 1296.70 NIST
Inp 1267.00 NIST
Inp 1294.70 NIST
Inp 1267.00 NIST
Tboil 532.27 K Joback Calculated Property
Tc 765.16 K Joback Calculated Property
Tfus 343.02 K Joback Calculated Property
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
ΔsubH 70.70 kJ/mol 282.50 NIST
ΔvapH [49.90; 69.10] kJ/mol [334.00; 457.50] Show Hide
ΔvapH 69.10 ± 0.80 kJ/mol 334.00 NIST
ΔvapH 62.40 kJ/mol 457.50 NIST
ΔvapH 56.60 kJ/mol 457.50 NIST
ΔvapH 54.40 kJ/mol 457.50 NIST
ΔvapH 49.90 kJ/mol 457.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [390.52; 542.50] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.54501e+01
Coefficient B-4.65055e+03
Coefficient C-8.38060e+01
Temperature range, min.390.52
Temperature range, max.542.50
Pvap 1.33 kPa 390.52 Calculated Property
Pvap 2.94 kPa 407.41 Calculated Property
Pvap 6.00 kPa 424.29 Calculated Property
Pvap 11.44 kPa 441.18 Calculated Property
Pvap 20.58 kPa 458.07 Calculated Property
Pvap 35.18 kPa 474.95 Calculated Property
Pvap 57.55 kPa 491.84 Calculated Property
Pvap 90.52 kPa 508.73 Calculated Property
Pvap 137.53 kPa 525.61 Calculated Property
Pvap 202.63 kPa 542.50 Calculated Property

Similar Compounds

p-tert.-Butylcatechol. Phenol, p-tert-butyl-. Phenol, 3,5-bis(1,1-dimethylethyl)-. m-(tert-Butyl)anisole. t-Butylhydroquinone. Phenol, 2-(1,1-dimethylethyl)-. Phenol, 2,5-bis(1,1-dimethylethyl)-. Phenol, 3-(1-methylethyl)-. (1,1,3,3-tetramethylbutyl)phenol. 5-tert-Butylpyrogallol. Phenol, 3-(1,1-dimethylethyl)-4-methoxy-. 4-tert-Butylcatechol, dimethyl ether. 2,4-Di-tert-butylphenol. 3-tert-Butyl-4-hydroxyanisole. Benzene, 1-(1,1-dimethylethyl)-4-methoxy-.

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

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.