Chemical Properties of t-Butylperoxymethyloxirane (CAS 33415-52-0)

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

146.18

CAS

33415-52-0

• 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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• 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
ΔfG°	-324.84	kJ/mol	Joback Calculated Property
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°	16.95	kJ/mol	Joback Calculated Property
ΔvapH°	53.85 ± 0.39	kJ/mol	NIST
log10WS	-1.12		Crippen Calculated Property
logPoct/wat	1.132		Crippen Calculated Property
McVol	116.240	ml/mol	McGowan Calculated Property
Pc	3055.79	kPa	Joback Calculated Property
Tboil	448.24	K	Joback Calculated Property
Tc	647.83	K	Joback Calculated Property
Tfus	257.91	K	Joback Calculated Property
Vc	0.420	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[249.77; 319.11]	J/mol×K	[448.24; 647.83]
Cp,gas	249.77	J/mol×K	448.24	Joback Calculated Property
Cp,gas	263.32	J/mol×K	481.50	Joback Calculated Property
Cp,gas	276.02	J/mol×K	514.77	Joback Calculated Property
Cp,gas	287.91	J/mol×K	548.03	Joback Calculated Property
Cp,gas	299.03	J/mol×K	581.30	Joback Calculated Property
Cp,gas	309.42	J/mol×K	614.56	Joback Calculated Property
Cp,gas	319.11	J/mol×K	647.83	Joback Calculated Property
η	[0.0004961; 0.0042940]	Pa×s	[257.91; 448.24]
η	0.0042940	Pa×s	257.91	Joback Calculated Property
η	0.0024610	Pa×s	289.63	Joback Calculated Property
η	0.0015743	Pa×s	321.35	Joback Calculated Property
η	0.0010912	Pa×s	353.07	Joback Calculated Property
η	0.0008035	Pa×s	384.80	Joback Calculated Property
η	0.0006199	Pa×s	416.52	Joback Calculated Property
η	0.0004961	Pa×s	448.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to t-Butylperoxymethyloxirane.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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