Chemical Properties of Oxirane, 2-methyl-2-propyl- (CAS 3657-41-8)

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

CAS

3657-41-8

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_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°	-31.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-211.13	kJ/mol	Joback Calculated Property
ΔfusH°	11.11	kJ/mol	Joback Calculated Property
ΔvapH°	32.22	kJ/mol	Joback Calculated Property
log10WS	-1.43		Crippen Calculated Property
logPoct/wat	1.575		Crippen Calculated Property
McVol	90.410	ml/mol	McGowan Calculated Property
Pc	3773.04	kPa	Joback 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	370.61	K	Joback Calculated Property
Tc	559.20	K	Joback Calculated Property
Tfus	225.79	K	Joback Calculated Property
Vc	0.347	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[169.98; 234.15]	J/mol×K	[370.61; 559.20]
Cp,gas	169.98	J/mol×K	370.61	Joback Calculated Property
Cp,gas	182.87	J/mol×K	402.04	Joback Calculated Property
Cp,gas	194.77	J/mol×K	433.47	Joback Calculated Property
Cp,gas	205.76	J/mol×K	464.91	Joback Calculated Property
Cp,gas	215.93	J/mol×K	496.34	Joback Calculated Property
Cp,gas	225.37	J/mol×K	527.77	Joback Calculated Property
Cp,gas	234.15	J/mol×K	559.20	Joback Calculated Property

Similar Compounds

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

Sources

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

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