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° 30.96 kJ/mol Joback Calculated Property
ΔvapH° 101.52 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 1661.90 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 351.35 K Relay (1.0) Calculated Property

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [365.48; 856.82] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-5.12380e+01
Coefficient B1.86744e+00
Coefficient C-1.35788e-03
Coefficient D3.98500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 365.48 J/mol×K 273.00 Calculated Property
Cp,gas 457.12 J/mol×K 353.78 Calculated Property
Cp,gas 536.55 J/mol×K 434.56 Calculated Property
Cp,gas 605.04 J/mol×K 515.33 Calculated Property
Cp,gas 663.86 J/mol×K 596.11 Calculated Property
Cp,gas 714.25 J/mol×K 676.89 Calculated Property
Cp,gas 757.48 J/mol×K 757.67 Calculated Property
Cp,gas 794.81 J/mol×K 838.44 Calculated Property
Cp,gas 827.51 J/mol×K 919.22 Calculated Property
Cp,gas 856.82 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0001507; 0.0000078] Pa×s [502.97; 698.73] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.93768e+01
Coefficient B5.31980e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.502.97
Temperature range, max.698.73
η 0.0001507 Pa×s 502.97 Calculated Property
η 0.0000972 Pa×s 524.72 Calculated Property
η 0.0000649 Pa×s 546.47 Calculated Property
η 0.0000447 Pa×s 568.22 Calculated Property
η 0.0000317 Pa×s 589.98 Calculated Property
η 0.0000230 Pa×s 611.73 Calculated Property
η 0.0000171 Pa×s 633.48 Calculated Property
η 0.0000129 Pa×s 655.23 Calculated Property
η 0.0000099 Pa×s 676.98 Calculated Property
η 0.0000078 Pa×s 698.73 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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