Chemical Properties of Methyl 3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]propanoate

Methyl 3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]propanoate

InChI
InChI=1S/C18H28O3/c1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h10-11,20H,8-9H2,1-7H3
InChI Key
PXMJCECEFTYEKE-UHFFFAOYSA-N
Formula
C18H28O3
SMILES
COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
Molecular Weight1
292.42
Other Names
  • Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
  • Methylox
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Physical Properties

Property Value Unit Source
ΔfH°gas -661.51 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.38 kJ/mol Joback Calculated Property
ΔvapH° 99.78 kJ/mol Relay (1.0) Calculated Property
IE 7.78 eV Relay (1.0) Calculated Property
logPoct/wat 4.093 Crippen Calculated Property
McVol 254.030 ml/mol McGowan Calculated Property
Pc 1718.88 kPa Joback Calculated Property
Inp [1943.30; 1943.30]   Show Hide
Inp 1943.30 NIST
Inp 1943.30 NIST
Tboil 575.95 K Relay (1.0) Calculated Property
Tfus 359.45 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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 [774.27; 862.62] J/mol×K [798.33; 1017.84] Show Hide
Cp,gas 774.27 J/mol×K 798.33 Joback Calculated Property
Cp,gas 790.89 J/mol×K 834.92 Joback Calculated Property
Cp,gas 806.61 J/mol×K 871.50 Joback Calculated Property
Cp,gas 821.52 J/mol×K 908.09 Joback Calculated Property
Cp,gas 835.75 J/mol×K 944.67 Joback Calculated Property
Cp,gas 849.42 J/mol×K 981.26 Joback Calculated Property
Cp,gas 862.62 J/mol×K 1017.84 Joback Calculated Property
η [0.0000037; 0.0001008] Pa×s [532.80; 798.33] Show Hide
η 0.0001008 Pa×s 532.80 Joback Calculated Property
η 0.0000470 Pa×s 577.05 Joback Calculated Property
η 0.0000244 Pa×s 621.31 Joback Calculated Property
η 0.0000139 Pa×s 665.57 Joback Calculated Property
η 0.0000084 Pa×s 709.82 Joback Calculated Property
η 0.0000054 Pa×s 754.08 Joback Calculated Property
η 0.0000037 Pa×s 798.33 Joback Calculated Property

Similar Compounds

Pentaerythritol tetrakis[3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionate]. thiobis(ethane-2,1-diyl) bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate). Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl]hydrazide. 2,2'-Ethylenebis(4-methyl-6-t-butylphenol). Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-. 4-sec-Butyl-2-tert-butyl-6-hydroperoxymethyl-phenol. Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl-. Propyl 3-(2-hydroxyphenyl)propanoate. 4-sec-Butyl-2-tert-butyl-6-hydroxym ethyl-phenol. P-cresol, 2,2'-ethylidene bis(6-(1-methylcyclohexyl))-. Ethyl 3-(2-hydroxyphenyl)propanoate. Phenol, 4,4'-butylidene bis(2,6-di-tert-butyl)-. Methyl 8,11,13-Abietadien-18-oate. Methyl dehydroabietate. 2,6-BIS-(1,1-DIMETHYL-PROPYL)-4-METHYL-PHENOL.

Find more compounds similar to Methyl 3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]propanoate.

Sources

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