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_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).
• I_np : Non-polar retention indices.
• 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
ΔfusH°	7.59	kJ/mol	Joback Calculated Property
ΔvapH°	38.48	kJ/mol	Relay (1.0) Calculated Property
IE	9.60	eV	Relay (1.0) 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	364.43	K	Relay (1.0) Calculated Property
Tfus	188.69	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, 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	[122.44; 336.00]	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			-8.71600e+01
Coefficient B			1.01956e+00
Coefficient C			-1.04470e-03
Coefficient D			4.48300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	122.44	J/mol×K	273.00	Calculated Property
Cp,gas	162.63	J/mol×K	353.78	Calculated Property
Cp,gas	195.40	J/mol×K	434.56	Calculated Property
Cp,gas	222.17	J/mol×K	515.33	Calculated Property
Cp,gas	244.34	J/mol×K	596.11	Calculated Property
Cp,gas	263.34	J/mol×K	676.89	Calculated Property
Cp,gas	280.59	J/mol×K	757.67	Calculated Property
Cp,gas	297.51	J/mol×K	838.44	Calculated Property
Cp,gas	315.50	J/mol×K	919.22	Calculated Property
Cp,gas	336.00	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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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