Chemical Properties of Phenol, 2,3,6-trimethyl- (CAS 2416-94-6)

Phenol, 2,3,6-trimethyl-

PDF Excel Molecule Calculator
InChI
InChI=1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3
InChI Key
QQOMQLYQAXGHSU-UHFFFAOYSA-N
Formula
C9H12O
SMILES
Cc1ccc(C)c(O)c1C
Molecular Weight1
136.19
CAS
2416-94-6
Other Names
  • 1-Hydroxy-2,3,6-trimethylbenzene
  • 2,3,6-Trimethylphenol
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
Δf -36.57 kJ/mol Joback Calculated Property
Δfgas -192.81 kJ/mol Joback Calculated Property
Δfus 18.11 kJ/mol Joback Calculated Property
Δsub 86.70 ± 0.60 kJ/mol NIST
Δvap 52.24 kJ/mol Joback Calculated Property
log10WS -2.45 Crippen Calculated Property
logPoct/wat 2.317 Crippen Calculated Property
McVol 119.780 ml/mol McGowan Calculated Property
Pc 3754.57 kPa Joback Calculated Property
Inp [1198.00; 1245.70]   Show Hide
Inp 1239.30 NIST
Inp 1241.90 NIST
Inp 1245.70 NIST
Inp 1201.00 NIST
Inp 1198.00 NIST
Inp 1203.00 NIST
Inp 1201.00 NIST
I [2028.00; 2039.00]   Show Hide
I 2028.00 NIST
I 2031.00 NIST
I 2039.00 NIST
Tboil 522.58 K Joback Calculated Property
Tc 747.15 K Joback Calculated Property
Tfus [335.00; 354.65] K Show Hide
Tfus 354.65 ± 0.40 K NIST
Tfus 335.00 ± 2.00 K NIST
Tfus 335.15 ± 2.00 K NIST
Tfus 335.45 ± 1.00 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
ΔfusH 22.05 kJ/mol 331.20 NIST
ΔvapH 51.10 ± 0.20 kJ/mol 431.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [388.00; 521.81] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.67655e+01
Coefficient B-5.02691e+03
Coefficient C-8.29300e+01
Temperature range, min.388.00
Temperature range, max.521.81
Pvap 1.33 kPa 388.00 Calculated Property
Pvap 2.87 kPa 402.87 Calculated Property
Pvap 5.76 kPa 417.74 Calculated Property
Pvap 10.91 kPa 432.60 Calculated Property
Pvap 19.61 kPa 447.47 Calculated Property
Pvap 33.66 kPa 462.34 Calculated Property
Pvap 55.47 kPa 477.21 Calculated Property
Pvap 88.16 kPa 492.07 Calculated Property
Pvap 135.63 kPa 506.94 Calculated Property
Pvap 202.66 kPa 521.81 Calculated Property

Similar Compounds

Phenol, 2,3,5-trimethyl-. Phenol, 2,3,4,6-tetramethyl-. Phenol, 2,3,5,6-tetramethyl-. 1,4-Benzenediol, 2,3,5-trimethyl-. Phenol, 2,3,4-trimethyl-. Phenol, 2,3-dimethyl-. Benzene, 2-methoxy-1,3,4-trimethyl-. Phenol, 2,4,5-trimethyl-. Phenol, 2,6-dimethyl-. 2,3-Xylenol, 6-ethyl-. 1,3-Benzenediol, 4,5-dimethyl-. Phenol, 2,5-dimethyl-. 2,3-Dimethylhydroquinone. 2-Hydroxy-3-methylbenzaldehyde. 2,3,5-Trimethylanisole.

Find more compounds similar to Phenol, 2,3,6-trimethyl-.

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.