Chemical Properties of Oxirane, 2-methyl-2-(1-methylethyl)- (CAS 72221-03-5)

InChI

InChI=1S/C6H12O/c1-5(2)6(3)4-7-6/h5H,4H2,1-3H3

InChI Key

JATXAMXFNMUGBL-UHFFFAOYSA-N

Formula

C6H12O

SMILES

CC(C)C1(C)CO1

Molecular Weight¹

100.16

CAS

72221-03-5

Other Names

• 2,3-dimethyl-1,2-epoxybutane
• 2-Methyl-2-(1-methylethyl)-oxirane
• 2-isopropyl-2-methyloxirane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• I_np : Non-polar retention indices.
• 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
ΔfG°	-33.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-216.41	kJ/mol	Joback Calculated Property
ΔfusH°	7.59	kJ/mol	Joback Calculated Property
ΔvapH°	31.83	kJ/mol	Joback Calculated Property
log10WS	-1.19		Crippen Calculated Property
logPoct/wat	1.431		Crippen Calculated Property
McVol	90.410	ml/mol	McGowan Calculated Property
Pc	3810.39	kPa	Joback Calculated Property
Inp	[712.00; 718.40]
Inp	716.90		NIST
Inp	717.50		NIST
Inp	718.40		NIST
Inp	718.40		NIST
Inp	712.00		NIST
Inp	712.00		NIST
Tboil	370.17	K	Joback Calculated Property
Tc	563.45	K	Joback Calculated Property
Tfus	210.79	K	Joback Calculated Property
Vc	0.342	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[169.84; 235.84]	J/mol×K	[370.17; 563.45]
Cp,gas	169.84	J/mol×K	370.17	Joback Calculated Property
Cp,gas	183.15	J/mol×K	402.38	Joback Calculated Property
Cp,gas	195.42	J/mol×K	434.60	Joback Calculated Property
Cp,gas	206.73	J/mol×K	466.81	Joback Calculated Property
Cp,gas	217.18	J/mol×K	499.03	Joback Calculated Property
Cp,gas	226.85	J/mol×K	531.24	Joback Calculated Property
Cp,gas	235.84	J/mol×K	563.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Oxirane, 2-methyl-2-(1-methylethyl)-.

Sources

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

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