Chemical Properties of Oxirane, butyl- (CAS 1436-34-6)

InChI

InChI=1S/C6H12O/c1-2-3-4-6-5-7-6/h6H,2-5H2,1H3

InChI Key

WHNBDXQTMPYBAT-UHFFFAOYSA-N

Formula

C6H12O

SMILES

CCCCC1CO1

Molecular Weight¹

100.16

CAS

1436-34-6

Other Names

• 1,2-epoxyhexane
• 1,2-hexene oxide
• 1-hexene epoxide
• 1-hexene oxide
• 2-butyloxirane
• Epoxy-n-hexane
• NSC 24268
• butyloxirane
• hexane, 1,2-epoxy-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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°	-25.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-226.37	kJ/mol	Joback Calculated Property
ΔfusH°	17.41	kJ/mol	Joback Calculated Property
ΔvapH°	33.37	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	3572.80	kPa	Joback Calculated Property
Inp	[768.00; 768.00]
Inp	768.00		NIST
Inp	768.00		NIST
Tboil	392.20	K	NIST
Tc	550.63	K	Joback Calculated Property
Tfus	201.89	K	Joback Calculated Property
Vc	0.349	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[169.67; 232.79]	J/mol×K	[370.37; 550.63]
Cp,gas	169.67	J/mol×K	370.37	Joback Calculated Property
Cp,gas	181.59	J/mol×K	400.41	Joback Calculated Property
Cp,gas	192.91	J/mol×K	430.46	Joback Calculated Property
Cp,gas	203.67	J/mol×K	460.50	Joback Calculated Property
Cp,gas	213.89	J/mol×K	490.54	Joback Calculated Property
Cp,gas	223.59	J/mol×K	520.58	Joback Calculated Property
Cp,gas	232.79	J/mol×K	550.63	Joback Calculated Property
η	[0.0003985; 0.0014937]	Pa×s	[201.89; 370.37]
η	0.0014937	Pa×s	201.89	Joback Calculated Property
η	0.0010477	Pa×s	229.97	Joback Calculated Property
η	0.0007938	Pa×s	258.05	Joback Calculated Property
η	0.0006351	Pa×s	286.13	Joback Calculated Property
η	0.0005288	Pa×s	314.21	Joback Calculated Property
η	0.0004537	Pa×s	342.29	Joback Calculated Property
η	0.0003985	Pa×s	370.37	Joback Calculated Property
ΔvapH	43.10	kJ/mol	345.00	NIST

Similar Compounds

Find more compounds similar to Oxirane, butyl-.

Sources

• Crippen Method
• Crippen Method
• Effect of anion species on infinite dilution activity coefficients of epoxides in imidazolium-based ionic liquids
• Joback Method
• McGowan Method
• NIST Webbook

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