Chemical Properties of Oxirane, [[4-(1,1-dimethylethyl)phenoxy]methyl]- (CAS 3101-60-8)

InChI

InChI=1S/C13H18O2/c1-13(2,3)10-4-6-11(7-5-10)14-8-12-9-15-12/h4-7,12H,8-9H2,1-3H3

InChI Key

HHRACYLRBOUBKM-UHFFFAOYSA-N

Formula

C13H18O2

SMILES

CC(C)(C)c1ccc(OCC2CO2)cc1

Molecular Weight¹

206.28

CAS

3101-60-8

Other Names

• 3-(p-tert-Butylphenoxy)-1,2-epoxypropane
• 4-t-Butylphenyl glycidyl ether
• 4-tert-Butylphenyl 2,3-epoxypropyl ether
• Heloxy 65
• Oxirane, 2-[[4-(1,1-dimethylethyl)phenoxy]methyl]-
• Propane, 1-(p-tert-butylphenoxy)-2,3-epoxy-
• R 1007
• [[4-(1,1-Dimethylethyl)phenoxy]methyl]oxirane
• p-tert-Butylphenyl glycidyl ether
• p-tert-butylphenyl 1-(2,3-epoxy)propyl ether
• tert-Butylphenol glycidyl ether
• tert-Butylphenyl glycidyl ether

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[234.42; 587.67]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-6.04290e+01
Coefficient B			1.31096e+00
Coefficient C			-9.14660e-04
Coefficient D			2.51800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	234.42	J/mol×K	273.00	Calculated Property
Cp,gas	300.03	J/mol×K	353.78	Calculated Property
Cp,gas	357.20	J/mol×K	434.56	Calculated Property
Cp,gas	406.71	J/mol×K	515.33	Calculated Property
Cp,gas	449.36	J/mol×K	596.11	Calculated Property
Cp,gas	485.96	J/mol×K	676.89	Calculated Property
Cp,gas	517.29	J/mol×K	757.67	Calculated Property
Cp,gas	544.16	J/mol×K	838.44	Calculated Property
Cp,gas	567.35	J/mol×K	919.22	Calculated Property
Cp,gas	587.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020837; 0.0003481]	Pa×s	[344.37; 562.19]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.07917e+01
Coefficient B			1.59034e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			344.37
Temperature range, max.			562.19
η	0.0020837	Pa×s	344.37	Calculated Property
η	0.0015386	Pa×s	368.57	Calculated Property
η	0.0011794	Pa×s	392.77	Calculated Property
η	0.0009324	Pa×s	416.98	Calculated Property
η	0.0007564	Pa×s	441.18	Calculated Property
η	0.0006271	Pa×s	465.38	Calculated Property
η	0.0005296	Pa×s	489.58	Calculated Property
η	0.0004545	Pa×s	513.78	Calculated Property
η	0.0003954	Pa×s	537.99	Calculated Property
η	0.0003481	Pa×s	562.19	Calculated Property

Similar Compounds

Find more compounds similar to Oxirane, [[4-(1,1-dimethylethyl)phenoxy]methyl]-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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