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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[442.06; 532.82]	J/mol×K	[581.38; 802.85]
Cp,gas	442.06	J/mol×K	581.38	Joback Calculated Property
Cp,gas	459.98	J/mol×K	618.29	Joback Calculated Property
Cp,gas	476.68	J/mol×K	655.20	Joback Calculated Property
Cp,gas	492.24	J/mol×K	692.11	Joback Calculated Property
Cp,gas	506.74	J/mol×K	729.03	Joback Calculated Property
Cp,gas	520.23	J/mol×K	765.94	Joback Calculated Property
Cp,gas	532.82	J/mol×K	802.85	Joback Calculated Property
η	[0.0003171; 0.0020837]	Pa×s	[344.37; 581.38]
η	0.0020837	Pa×s	344.37	Joback Calculated Property
η	0.0012955	Pa×s	383.87	Joback Calculated Property
η	0.0008802	Pa×s	423.37	Joback Calculated Property
η	0.0006388	Pa×s	462.88	Joback Calculated Property
η	0.0004876	Pa×s	502.38	Joback Calculated Property
η	0.0003871	Pa×s	541.88	Joback Calculated Property
η	0.0003171	Pa×s	581.38	Joback Calculated Property

Pressure Dependent Properties

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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