Chemical Properties of Oxirane, (2-methylpropyl)- (CAS 23850-78-4)

InChI

InChI=1S/C6H12O/c1-5(2)3-6-4-7-6/h5-6H,3-4H2,1-2H3

InChI Key

YXIOECOAAMLHPG-UHFFFAOYSA-N

Formula

C6H12O

SMILES

CC(C)CC1CO1

Molecular Weight¹

100.16

CAS

23850-78-4

Other Names

• Pentane, 1,2-epoxy-4-methyl-
• 1,2-Epoxy-4-methylpentane
• 2-Isobutyloxirane
• 4-Methyl-1,2-epoxypentane
• Isobutyloxirane

• 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_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).
• 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
ΔfH°gas	-171.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.89	kJ/mol	Joback Calculated Property
ΔvapH°	41.46	kJ/mol	Relay (1.0) Calculated Property
IE	9.98	eV	Relay (1.0) Calculated Property
logPoct/wat	1.431		Crippen Calculated Property
McVol	90.410	ml/mol	McGowan Calculated Property
Inp	[721.00; 753.40]
Inp	751.20		NIST
Inp	751.80		NIST
Inp	753.40		NIST
Inp	753.40		NIST
Inp	721.00		NIST
Tboil	382.45	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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	[169.62; 234.59]	J/mol×K	[370.13; 554.89]
Cp,gas	169.62	J/mol×K	370.13	Joback Calculated Property
Cp,gas	181.93	J/mol×K	400.92	Joback Calculated Property
Cp,gas	193.61	J/mol×K	431.72	Joback Calculated Property
Cp,gas	204.70	J/mol×K	462.51	Joback Calculated Property
Cp,gas	215.20	J/mol×K	493.30	Joback Calculated Property
Cp,gas	225.16	J/mol×K	524.09	Joback Calculated Property
Cp,gas	234.59	J/mol×K	554.89	Joback Calculated Property
η	[0.0003864; 0.0020193]	Pa×s	[186.89; 370.13]
η	0.0020193	Pa×s	186.89	Joback Calculated Property
η	0.0012631	Pa×s	217.43	Joback Calculated Property
η	0.0008869	Pa×s	247.97	Joback Calculated Property
η	0.0006730	Pa×s	278.51	Joback Calculated Property
η	0.0005393	Pa×s	309.05	Joback Calculated Property
η	0.0004497	Pa×s	339.59	Joback Calculated Property
η	0.0003864	Pa×s	370.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Oxirane, (2-methylpropyl)-.

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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