Chemical Properties of 4-methyl-2-tert-butyl-6-hydroperoxymethyl-phenol

4-methyl-2-tert-butyl-6-hydroperoxymethyl-phenol

InChI
InChI=1S/C12H18O3/c1-8-5-9(7-15-14)11(13)10(6-8)12(2,3)4/h5-6,13-14H,7H2,1-4H3
InChI Key
FBNSVMKLQJQJDC-UHFFFAOYSA-N
Formula
C12H18O3
SMILES
Cc1cc(COO)c(O)c(C(C)(C)C)c1
Molecular Weight1
210.27
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
ΔfH°gas -344.91 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 23.74 kJ/mol Joback Calculated Property
ΔvapH° 96.88 kJ/mol Relay (1.0) Calculated Property
IE 7.96 eV Relay (1.0) Calculated Property
logPoct/wat 2.988 Crippen Calculated Property
McVol 173.790 ml/mol McGowan Calculated Property
Inp [1614.00; 1614.00]   Show Hide
Inp 1614.00 NIST
Inp 1614.00 NIST
Tboil 564.52 K Relay (1.0) Calculated Property
Tfus 355.77 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [486.70; 551.58] J/mol×K [702.79; 910.51] Show Hide
Cp,gas 486.70 J/mol×K 702.79 Joback Calculated Property
Cp,gas 498.98 J/mol×K 737.41 Joback Calculated Property
Cp,gas 510.59 J/mol×K 772.03 Joback Calculated Property
Cp,gas 521.59 J/mol×K 806.65 Joback Calculated Property
Cp,gas 532.04 J/mol×K 841.27 Joback Calculated Property
Cp,gas 542.01 J/mol×K 875.89 Joback Calculated Property
Cp,gas 551.58 J/mol×K 910.51 Joback Calculated Property
η [0.0000032; 0.0001958] Pa×s [473.65; 702.79] Show Hide
η 0.0001958 Pa×s 473.65 Joback Calculated Property
η 0.0000765 Pa×s 511.84 Joback Calculated Property
η 0.0000341 Pa×s 550.03 Joback Calculated Property
η 0.0000168 Pa×s 588.22 Joback Calculated Property
η 0.0000091 Pa×s 626.41 Joback Calculated Property
η 0.0000052 Pa×s 664.60 Joback Calculated Property
η 0.0000032 Pa×s 702.79 Joback Calculated Property

Similar Compounds

2,4-tert-butyl-6-hydroperoxymethyl-phenol. 4-methyl-2-tert-butyl-6-hydroxym ethyl-phenol. 2,4-tert-butyl-6-hydroxym ethyl-phenol. 4-sec-Butyl-2-tert-butyl-6-hydroperoxymethyl-phenol. 4-sec-Butyl-2-tert-butyl-6-hydroxym ethyl-phenol. BENZENEMETHANOL, 3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXY-. Phenol, 2,6-bis(1,1-dimethylethyl)-4-(methoxymethyl)-. 6-t-Butyl-2,4-dimethylphenol. 3,5-di-t-Butyl-4-hydroxybenzyl ether. 4,4'-Methylenebis(6-tert-butyl-o-cresol). Phenol, 4,6-di(1,1-dimethylethyl)-2-methyl-. 3,3'-Di-tert-butyl-5,5'-dimethyl-2,2-dihydroxydiphenylmethane. Phenol, 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl-. 2,2'-Ethylenebis(4-methyl-6-t-butylphenol). Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl-.

Find more compounds similar to 4-methyl-2-tert-butyl-6-hydroperoxymethyl-phenol.

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.
These property values are available through the Cheméo API. A free account gives you an access key.