Chemical Properties of 4-Tert-butylphenyl propargyl ether

4-Tert-butylphenyl propargyl ether

InChI
InChI=1S/C13H16O/c1-5-10-14-12-8-6-11(7-9-12)13(2,3)4/h1,6-9H,10H2,2-4H3
InChI Key
LCKMFILTJDWOQW-UHFFFAOYSA-N
Formula
C13H16O
SMILES
C#CCOc1ccc(C(C)(C)C)cc1
Molecular Weight1
188.27
Other Names
  • Benzene, 1-(1,1-dimethylethyl)-4-(2-propynyloxy)-
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Physical Properties

Property Value Unit Source
ΔfusH° 19.83 kJ/mol Joback Calculated Property
ΔvapH° 64.00 kJ/mol Relay (1.0) Calculated Property
IE 7.85 ± 0.02 eV NIST
logPoct/wat 2.996 Crippen Calculated Property
McVol 167.540 ml/mol McGowan Calculated Property
Pc 2500.00 kPa Joback Calculated Property
Tboil 525.89 K Relay (1.0) Calculated Property
Tc 742.34 K Relay (1.0) Calculated Property
Tfus 305.39 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [229.32; 530.73] 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-1.37290e+01
Coefficient B1.06916e+00
Coefficient C-7.04290e-04
Coefficient D1.79590e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 229.32 J/mol×K 273.00 Calculated Property
Cp,gas 284.32 J/mol×K 353.78 Calculated Property
Cp,gas 332.62 J/mol×K 434.56 Calculated Property
Cp,gas 374.79 J/mol×K 515.33 Calculated Property
Cp,gas 411.38 J/mol×K 596.11 Calculated Property
Cp,gas 442.98 J/mol×K 676.89 Calculated Property
Cp,gas 470.15 J/mol×K 757.67 Calculated Property
Cp,gas 493.45 J/mol×K 838.44 Calculated Property
Cp,gas 513.45 J/mol×K 919.22 Calculated Property
Cp,gas 530.73 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benzene, 1-(1,1-dimethylethyl)-4-ethoxy-. Benzene, 1-(1,1-dimethylethyl)-4-methoxy-. (4-Tert-butylphenoxy)acetic acid. Ethanol, 2-[4-(1,1-dimethylethyl)phenoxy]-. Ethyl (4-tert-butylphenoxy)acetate. m-(tert-Butyl)anisole. 4-tert-Butylcatechol, dimethyl ether. 4-Tert-butylphenyl 2,2-dichloropropanoate. Phenol, 4-(1,1-dimethylethyl)-. 4-Isopropylphenoxyacetic acid. o-(tert-Butyl)anisole. Bis-(4-tert-butylphenoxy) ethoxy methane. Benzene, 1-methoxy-4-(1-methylethyl)-. Oxirane, [[4-(1,1-dimethylethyl)phenoxy]methyl]-. P-tert-amylanisole.

Find more compounds similar to 4-Tert-butylphenyl propargyl ether.

Sources

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