Chemical Properties of (E)-4,5-epoxy-(E)-2-octenal

InChI

InChI=1S/C8H12O2/c1-2-4-7-8(10-7)5-3-6-9/h3,5-8H,2,4H2,1H3/b5-3+/t7-,8-/m0/s1

InChI Key

RBBPXPMPGIPSJY-VKTMEOEOSA-N

Formula

C8H12O2

SMILES

CCCC1OC1C=CC=O

Molecular Weight¹

140.18

Other Names

• trans-4,5-epoxy-(E)-oct-2-enal

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	26.15	kJ/mol	Joback Calculated Property
logPoct/wat	1.309		Crippen Calculated Property
McVol	115.860	ml/mol	McGowan Calculated Property
Inp	[1181.00; 1181.00]
Inp	1181.00		NIST
Inp	1181.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, 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	[162.28; 398.17]	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			-3.41480e+01
Coefficient B			8.79720e-01
Coefficient C			-6.39100e-04
Coefficient D			1.91700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	162.28	J/mol×K	273.00	Calculated Property
Cp,gas	205.58	J/mol×K	353.78	Calculated Property
Cp,gas	243.18	J/mol×K	434.56	Calculated Property
Cp,gas	275.71	J/mol×K	515.33	Calculated Property
Cp,gas	303.77	J/mol×K	596.11	Calculated Property
Cp,gas	327.96	J/mol×K	676.89	Calculated Property
Cp,gas	348.88	J/mol×K	757.67	Calculated Property
Cp,gas	367.16	J/mol×K	838.44	Calculated Property
Cp,gas	383.39	J/mol×K	919.22	Calculated Property
Cp,gas	398.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018048; 0.0005461]	Pa×s	[257.11; 460.46]	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			-9.02406e+00
Coefficient B			6.95930e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			257.11
Temperature range, max.			460.46
η	0.0018048	Pa×s	257.11	Calculated Property
η	0.0014503	Pa×s	279.70	Calculated Property
η	0.0012042	Pa×s	302.30	Calculated Property
η	0.0010261	Pa×s	324.89	Calculated Property
η	0.0008927	Pa×s	347.49	Calculated Property
η	0.0007899	Pa×s	370.08	Calculated Property
η	0.0007089	Pa×s	392.67	Calculated Property
η	0.0006437	Pa×s	415.27	Calculated Property
η	0.0005904	Pa×s	437.86	Calculated Property
η	0.0005461	Pa×s	460.46	Calculated Property

Similar Compounds

Find more compounds similar to (E)-4,5-epoxy-(E)-2-octenal.

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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