Chemical Properties of 4,5-epoxydec-2-enal

InChI

InChI=1S/C10H16O2/c1-2-3-4-6-9-10(12-9)7-5-8-11/h5,7-10H,2-4,6H2,1H3

InChI Key

HIOMEXREAUSUBP-FNORWQNLSA-N

Formula

C10H16O2

SMILES

CCCCCC1OC1/C=C/C=O

Molecular Weight¹

168.24

• 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.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	31.33	kJ/mol	Joback Calculated Property
logPoct/wat	2.089		Crippen Calculated Property
McVol	144.040	ml/mol	McGowan Calculated Property
Inp	[1376.00; 1376.00]
Inp	1376.00		NIST
Inp	1376.00		NIST
I	[2042.00; 2045.00]
I	2045.00		NIST
I	2042.00		NIST
I	2045.00		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	[204.71; 501.35]	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			-3.59660e+01
Coefficient B			1.06972e+00
Coefficient C			-7.47900e-04
Coefficient D			2.15500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	204.71	J/mol×K	273.00	Calculated Property
Cp,gas	258.41	J/mol×K	353.78	Calculated Property
Cp,gas	305.34	J/mol×K	434.56	Calculated Property
Cp,gas	346.17	J/mol×K	515.33	Calculated Property
Cp,gas	381.59	J/mol×K	596.11	Calculated Property
Cp,gas	412.28	J/mol×K	676.89	Calculated Property
Cp,gas	438.92	J/mol×K	757.67	Calculated Property
Cp,gas	462.19	J/mol×K	838.44	Calculated Property
Cp,gas	482.77	J/mol×K	919.22	Calculated Property
Cp,gas	501.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022936; 0.0005916]	Pa×s	[279.65; 489.38]	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			-9.23963e+00
Coefficient B			8.84250e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			279.65
Temperature range, max.			489.38
η	0.0022936	Pa×s	279.65	Calculated Property
η	0.0017984	Pa×s	302.95	Calculated Property
η	0.0014600	Pa×s	326.26	Calculated Property
η	0.0012186	Pa×s	349.56	Calculated Property
η	0.0010404	Pa×s	372.86	Calculated Property
η	0.0009050	Pa×s	396.17	Calculated Property
η	0.0007994	Pa×s	419.47	Calculated Property
η	0.0007155	Pa×s	442.77	Calculated Property
η	0.0006475	Pa×s	466.08	Calculated Property
η	0.0005916	Pa×s	489.38	Calculated Property

Similar Compounds

Find more compounds similar to 4,5-epoxydec-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

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