Chemical Properties of Oxirane, 3-butenyl- (CAS 10353-53-4)

InChI

InChI=1S/C6H10O/c1-2-3-4-6-5-7-6/h2,6H,1,3-5H2

InChI Key

MUUOUUYKIVSIAR-UHFFFAOYSA-N

Formula

C6H10O

SMILES

C=CCCC1CO1

Molecular Weight¹

98.14

CAS

10353-53-4

Other Names

• 1,2-Epoxy-5-hexene
• 1-Hexene, 5,6-epoxy-
• 2-(3-Butenyl)oxirane
• 5,6-Epoxy-1-hexene
• 5,6-epoxyhex-1-ene
• Diallyl monooxide
• Diallyl monoxide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[116.87; 299.62]	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			-3.84780e+01
Coefficient B			7.01700e-01
Coefficient C			-5.31800e-04
Coefficient D			1.68200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	116.87	J/mol×K	273.00	Calculated Property
Cp,gas	150.66	J/mol×K	353.78	Calculated Property
Cp,gas	179.83	J/mol×K	434.56	Calculated Property
Cp,gas	204.92	J/mol×K	515.33	Calculated Property
Cp,gas	226.47	J/mol×K	596.11	Calculated Property
Cp,gas	245.00	J/mol×K	676.89	Calculated Property
Cp,gas	261.05	J/mol×K	757.67	Calculated Property
Cp,gas	275.15	J/mol×K	838.44	Calculated Property
Cp,gas	287.83	J/mol×K	919.22	Calculated Property
Cp,gas	299.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012434; 0.0003547]	Pa×s	[200.13; 386.07]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.29455e+00
Coefficient B			5.21270e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			200.13
Temperature range, max.			386.07
η	0.0012434	Pa×s	200.13	Calculated Property
η	0.0009745	Pa×s	220.79	Calculated Property
η	0.0007962	Pa×s	241.45	Calculated Property
η	0.0006716	Pa×s	262.11	Calculated Property
η	0.0005808	Pa×s	282.77	Calculated Property
η	0.0005123	Pa×s	303.43	Calculated Property
η	0.0004591	Pa×s	324.09	Calculated Property
η	0.0004170	Pa×s	344.75	Calculated Property
η	0.0003828	Pa×s	365.41	Calculated Property
η	0.0003547	Pa×s	386.07	Calculated Property

Similar Compounds

Find more compounds similar to Oxirane, 3-butenyl-.

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

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