Chemical Properties of Oxirane, 2-methyl-2-propyl-

InChI

InChI=1S/C6H12O/c1-3-4-6(2)5-7-6/h3-5H2,1-2H3

InChI Key

FFXMEOKFDOVSGT-UHFFFAOYSA-N

Formula

C6H12O

SMILES

CCCC1(C)CO1

Molecular Weight¹

100.16

Other Names

• Pentane, 1,2-epoxy-2-methyl-
• 2-Methyl-1-pentene epoxide
• 2-Methyl-1-pentene oxide
• 2-Methyl-1,2-epoxypentane
• 2-Methyl-2-propyl-oxirane

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	11.11	kJ/mol	Joback Calculated Property
ΔvapH°	38.36	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.575		Crippen Calculated Property
McVol	90.410	ml/mol	McGowan Calculated Property
Inp	[736.40; 741.00]
Inp	736.40		NIST
Inp	737.40		NIST
Inp	737.80		NIST
Inp	737.80		NIST
Inp	Outlier 741.00		NIST
Inp	736.40		NIST
Tboil	368.69	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[122.76; 335.46]	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			-8.54780e+01
Coefficient B			1.01364e+00
Coefficient C			-1.04150e-03
Coefficient D			4.48800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	122.76	J/mol×K	273.00	Calculated Property
Cp,gas	162.64	J/mol×K	353.78	Calculated Property
Cp,gas	195.16	J/mol×K	434.56	Calculated Property
Cp,gas	221.72	J/mol×K	515.33	Calculated Property
Cp,gas	243.74	J/mol×K	596.11	Calculated Property
Cp,gas	262.64	J/mol×K	676.89	Calculated Property
Cp,gas	279.84	J/mol×K	757.67	Calculated Property
Cp,gas	296.77	J/mol×K	838.44	Calculated Property
Cp,gas	314.84	J/mol×K	919.22	Calculated Property
Cp,gas	335.46	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Oxirane, 2-methyl-2-propyl-.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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