Chemical Properties of trans-4,5-epoxy-(E)-dodec-2-enal

InChI

InChI=1S/C12H20O2/c1-2-3-4-5-6-8-11-12(14-11)9-7-10-13/h7,9-12H,2-6,8H2,1H3/b9-7+/t11-,12-/m0/s1

InChI Key

ZYDXKAHTGWQVMS-JONLBCGYSA-N

Formula

C12H20O2

SMILES

CCCCCCCC1OC1C=CC=O

Molecular Weight¹

196.29

Other Names

• trans-4,5-Epoxy-(E)-2-dodecenal

• 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).
• Δ_vapH° : Enthalpy of vaporization 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.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	36.51	kJ/mol	Joback Calculated Property
ΔvapH°	73.18	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.869		Crippen Calculated Property
McVol	172.220	ml/mol	McGowan Calculated Property
Inp	[1526.00; 1526.00]
Inp	1526.00		NIST
Inp	1526.00		NIST
I	2210.00		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, 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	[247.14; 604.54]	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			-3.77840e+01
Coefficient B			1.25972e+00
Coefficient C			-8.56700e-04
Coefficient D			2.39300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	247.14	J/mol×K	273.00	Calculated Property
Cp,gas	311.25	J/mol×K	353.78	Calculated Property
Cp,gas	367.49	J/mol×K	434.56	Calculated Property
Cp,gas	416.63	J/mol×K	515.33	Calculated Property
Cp,gas	459.41	J/mol×K	596.11	Calculated Property
Cp,gas	496.60	J/mol×K	676.89	Calculated Property
Cp,gas	528.95	J/mol×K	757.67	Calculated Property
Cp,gas	557.22	J/mol×K	838.44	Calculated Property
Cp,gas	582.16	J/mol×K	919.22	Calculated Property
Cp,gas	604.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026476; 0.0006024]	Pa×s	[302.19; 518.45]	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			-9.48341e+00
Coefficient B			1.07257e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			302.19
Temperature range, max.			518.45
η	0.0026476	Pa×s	302.19	Calculated Property
η	0.0020385	Pa×s	326.22	Calculated Property
η	0.0016269	Pa×s	350.25	Calculated Property
η	0.0013365	Pa×s	374.28	Calculated Property
η	0.0011243	Pa×s	398.30	Calculated Property
η	0.0009646	Pa×s	422.33	Calculated Property
η	0.0008414	Pa×s	446.36	Calculated Property
η	0.0007442	Pa×s	470.39	Calculated Property
η	0.0006661	Pa×s	494.42	Calculated Property
η	0.0006024	Pa×s	518.45	Calculated Property

Similar Compounds

Find more compounds similar to trans-4,5-epoxy-(E)-dodec-2-enal.

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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