Chemical Properties of t-Butylperoxymethyloxirane

InChI

InChI=1S/C7H14O3/c1-7(2,3)10-9-5-6-4-8-6/h6H,4-5H2,1-3H3

InChI Key

DFNGDRYVYUIBMK-UHFFFAOYSA-N

Formula

C7H14O3

SMILES

CC(C)(C)OOCC1CO1

Molecular Weight¹

146.19

• 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	[-4436.00; -4436.00]	kJ/mol
ΔcH°liquid	-4436.00 ± 2.00	kJ/mol	NIST
ΔcH°liquid	-4436.00 ± 2.00	kJ/mol	NIST
ΔfH°gas	[-272.00; -265.20]	kJ/mol
ΔfH°gas	-265.20 ± 2.00	kJ/mol	NIST
ΔfH°gas	-267.50 ± 2.80	kJ/mol	NIST
ΔfH°gas	-272.00 ± 3.00	kJ/mol	NIST
ΔfH°gas	-265.20 ± 2.00	kJ/mol	NIST
ΔfH°liquid	[-319.00; -319.00]	kJ/mol
ΔfH°liquid	-319.00 ± 2.00	kJ/mol	NIST
ΔfH°liquid	-319.00 ± 2.00	kJ/mol	NIST
ΔfusH°	14.96	kJ/mol	Joback Calculated Property
ΔvapH°	53.85 ± 0.39	kJ/mol	NIST
IE	9.54	eV	Relay (1.0) Calculated Property
logPoct/wat	1.132		Crippen Calculated Property
McVol	116.240	ml/mol	McGowan Calculated Property
Tboil	438.50	K	Relay (1.0) Calculated Property
Tfus	249.97	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[258.38; 330.63]	J/mol×K	[435.06; 625.98]
Cp,gas	258.38	J/mol×K	435.06	Joback Calculated Property
Cp,gas	272.06	J/mol×K	466.88	Joback Calculated Property
Cp,gas	285.04	J/mol×K	498.70	Joback Calculated Property
Cp,gas	297.37	J/mol×K	530.52	Joback Calculated Property
Cp,gas	309.06	J/mol×K	562.34	Joback Calculated Property
Cp,gas	320.14	J/mol×K	594.16	Joback Calculated Property
Cp,gas	330.63	J/mol×K	625.98	Joback Calculated Property
η	[0.0003860; 0.0023418]	Pa×s	[260.04; 435.06]
η	0.0023418	Pa×s	260.04	Joback Calculated Property
η	0.0014902	Pa×s	289.21	Joback Calculated Property
η	0.0010302	Pa×s	318.38	Joback Calculated Property
η	0.0007577	Pa×s	347.55	Joback Calculated Property
η	0.0005845	Pa×s	376.72	Joback Calculated Property
η	0.0004680	Pa×s	405.89	Joback Calculated Property
η	0.0003860	Pa×s	435.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to t-Butylperoxymethyloxirane.

Sources

• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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