Chemical Properties of TERT-BUTYL GLYCIDYL ETHER

InChI

InChI=1S/C7H14O2/c1-7(2,3)9-5-6-4-8-6/h6H,4-5H2,1-3H3

InChI Key

SFJRUJUEMVAZLM-UHFFFAOYSA-N

Formula

C7H14O2

SMILES

CC(C)(C)OCC1CO1

Molecular Weight¹

130.19

Other Names

• ((1,1-Dimethylethoxy)methyl)oxirane
• (tert-Butoxymethyl)oxirane
• 1,1-Dimethylethyl glycidyl ether
• 2,3-Epoxypropyl-t-butyl ether
• 2-(tert-Butoxymethyl)oxirane
• Ageflex TBGE
• Glycidyl tert-butyl ether
• Oxirane, 2-((1,1-dimethylethoxy)methyl)-
• Oxirane, [(1,1-dimethylethoxy)methyl]-
• Propane, 1-tert-butoxy-2,3-epoxy-
• t-Bge
• t-Butyl glycidyl ether

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	[-4387.00; -4385.00]	kJ/mol
ΔcH°liquid	-4387.00 ± 1.00	kJ/mol	NIST
ΔcH°liquid	-4385.00 ± 3.00	kJ/mol	NIST
ΔcH°liquid	-4387.00 ± 1.00	kJ/mol	NIST
ΔfH°gas	[-322.00; -318.80]	kJ/mol
ΔfH°gas	-318.80 ± 1.10	kJ/mol	NIST
ΔfH°gas	-319.70 ± 2.70	kJ/mol	NIST
ΔfH°gas	-322.00 ± 2.00	kJ/mol	NIST
ΔfH°gas	-319.80 ± 3.00	kJ/mol	NIST
ΔfH°gas	-318.80 ± 1.10	kJ/mol	NIST
ΔfH°liquid	[-370.00; -369.00]	kJ/mol
ΔfH°liquid	-369.00 ± 1.00	kJ/mol	NIST
ΔfH°liquid	-370.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-369.00 ± 1.00	kJ/mol	NIST
ΔfusH°	13.77	kJ/mol	Joback Calculated Property
ΔvapH°	50.22 ± 0.35	kJ/mol	NIST
IE	9.71	eV	Relay (1.0) Calculated Property
logPoct/wat	1.200		Crippen Calculated Property
McVol	110.370	ml/mol	McGowan Calculated Property
Tboil	422.44	K	Relay (1.0) Calculated Property
Tfus	203.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Temperature, Critical Pressure, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[161.84; 399.69]	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			-3.53690e+01
Coefficient B			8.79360e-01
Coefficient C			-6.24100e-04
Coefficient D			1.79800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	161.84	J/mol×K	273.00	Calculated Property
Cp,gas	205.58	J/mol×K	353.78	Calculated Property
Cp,gas	243.66	J/mol×K	434.56	Calculated Property
Cp,gas	276.66	J/mol×K	515.33	Calculated Property
Cp,gas	305.14	J/mol×K	596.11	Calculated Property
Cp,gas	329.67	J/mol×K	676.89	Calculated Property
Cp,gas	350.83	J/mol×K	757.67	Calculated Property
Cp,gas	369.17	J/mol×K	838.44	Calculated Property
Cp,gas	385.27	J/mol×K	919.22	Calculated Property
Cp,gas	399.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0059000; 0.0004092]	Pa×s	[203.15; 422.91]	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			-1.02680e+01
Coefficient B			1.04322e+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.			203.15
Temperature range, max.			422.91
η	0.0059000	Pa×s	203.15	Calculated Property
η	0.0034006	Pa×s	227.57	Calculated Property
η	0.0021809	Pa×s	251.99	Calculated Property
η	0.0015128	Pa×s	276.40	Calculated Property
η	0.0011136	Pa×s	300.82	Calculated Property
η	0.0008584	Pa×s	325.24	Calculated Property
η	0.0006861	Pa×s	349.66	Calculated Property
η	0.0005647	Pa×s	374.08	Calculated Property
η	0.0004760	Pa×s	398.49	Calculated Property
η	0.0004092	Pa×s	422.91	Calculated Property

Similar Compounds

Find more compounds similar to TERT-BUTYL GLYCIDYL ETHER.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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