Chemical Properties of 4-tert-Butylcatechol, dimethyl ether

4-tert-Butylcatechol, dimethyl ether

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InChI
InChI=1S/C12H18O2/c1-12(2,3)9-6-7-10(13-4)11(8-9)14-5/h6-8H,1-5H3
InChI Key
FSWSUKGIUZLXKK-UHFFFAOYSA-N
Formula
C12H18O2
SMILES
COc1ccc(C(C)(C)C)cc1OC
Molecular Weight1
194.27
Sources

Physical Properties

Property Value Unit Source
Δf -63.85 kJ/mol Joback Calculated Property
Δfgas -350.61 kJ/mol Joback Calculated Property
Δfus 15.06 kJ/mol Joback Calculated Property
Δvap 49.43 kJ/mol Joback Calculated Property
logPoct/wat 3.00 Crippen Calculated Property
Pc 2302.53 kPa Joback Calculated Property
Tboil 552.21 K Joback Calculated Property
Tc 762.44 K Joback Calculated Property
Tfus 323.34 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 401.85 J/mol×K 552.21 Joback Calculated Property
η 0.00 Pa×s 552.21 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
=C< (ring) 3
-CH3 5
>C< 1
=CH- (ring) 3

Similar Compounds

Benzene, 4-ethyl-1,2-dimethoxy-. Phenol, 4-ethyl-2-methoxy-. Benzene, 1,2-dimethoxy-4-(2-propenyl)-. 1,2-Dimethoxy-4-N-propylbenzene. 3,4-Dimethoxyphenethyl alcohol. 4-cyclopropyl-2-methoxyphenol. Benzeneethanamine, 3,4-dimethoxy-. Benzeneacetonitrile, 3,4-dimethoxy-. 1,2-Diethoxy-4-ethylbenzene. 3-(3,4-Dimethoxyphenyl)-1-propanol. Eugenol. Phenol, 2-methoxy-4-propyl-. Homovanillyl alcohol. Homovanillin. m-(tert-Butyl)anisole.

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