Chemical Properties of trans-4,5-Epoxy-(E)-2-decenal (CAS 134454-31-2)

InChI

InChI=1S/C10H16O2/c1-2-3-4-6-9-10(12-9)7-5-8-11/h5,7-10H,2-4,6H2,1H3/b7-5+/t9-,10+/m0/s1

InChI Key

HIOMEXREAUSUBP-IUUOVRRDSA-N

Formula

C10H16O2

SMILES

CCCCCC1OC1C=CC=O

Molecular Weight¹

168.23

CAS

134454-31-2

Other Names

• 4,5-epoxy-(E)-2-decenal
• (E)-4,5-Epoxy-(E)-2-decenal
• trans-4,5-Epoxy-2(E)-decenal
• (E)-2-Decenal, 4,5-epoxy
• tr-4,5-Epoxy-(E)-dec-2-enal
• trans-4,5-epoxy-(E)-dec-2-enal
• (E)-4,5-epoxydec-2-enal
• trans-4,5-epoxy-(E)-2-decanal
• trans-(E)-2-Decenal, 4,5-epoxy
• tr-4,5-Epoxy-(E)-2-decenal
• trans-4,5-epoxy-(E)-2-decenale
• 4,5-epoxy-(E)-dec-2-enal
• 2-Decenal, (E)-, 4,5-(E)-epoxy-

• 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_p : 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	[1350.00; 1392.00]
Inp	1389.00		NIST
Inp	1385.00		NIST
Inp	1390.00		NIST
Inp	1385.00		NIST
Inp	1382.00		NIST
Inp	1378.00		NIST
Inp	1375.00		NIST
Inp	1383.00		NIST
Inp	1379.00		NIST
Inp	1380.00		NIST
Inp	1392.00		NIST
Inp	1374.00		NIST
Inp	1379.00		NIST
Inp	1379.00		NIST
Inp	1380.00		NIST
Inp	1381.00		NIST
Inp	1381.00		NIST
Inp	1378.00		NIST
Inp	1381.00		NIST
Inp	1381.00		NIST
Inp	1381.00		NIST
Inp	1380.00		NIST
Inp	1380.00		NIST
Inp	1375.00		NIST
Inp	1382.00		NIST
Inp	1380.00		NIST
Inp	Outlier 1362.00		NIST
Inp	1378.00		NIST
Inp	1384.00		NIST
Inp	1380.00		NIST
Inp	1380.00		NIST
Inp	1380.00		NIST
Inp	1383.00		NIST
Inp	1384.00		NIST
Inp	1382.00		NIST
Inp	1380.00		NIST
Inp	1374.00		NIST
Inp	Outlier 1350.00		NIST
Inp	1378.00		NIST
Inp	1382.00		NIST
Inp	1382.00		NIST
Inp	1379.00		NIST
Inp	1387.00		NIST
Inp	1384.00		NIST
Inp	1384.00		NIST
Inp	1381.00		NIST
Inp	1380.00		NIST
Inp	1382.00		NIST
Inp	1390.00		NIST
Inp	1380.00		NIST
Inp	1380.00		NIST
Inp	1374.00		NIST
Inp	1371.00		NIST
Inp	1385.00		NIST
Inp	1378.00		NIST
Inp	1381.00		NIST
Inp	1378.00		NIST
Inp	1381.00		NIST
Inp	1384.00		NIST
Inp	1381.00		NIST
Inp	1384.00		NIST
Inp	1384.00		NIST
Inp	1374.00		NIST
Inp	1381.00		NIST
Inp	1380.00		NIST
Inp	Outlier 1362.00		NIST
Inp	1389.00		NIST
Inp	1378.00		NIST
Inp	1392.00		NIST
Inp	1382.00		NIST
Inp	1384.00		NIST
Ip	[1971.00; 2025.00]
Ip	2017.00		NIST
Ip	2021.00		NIST
Ip	2010.00		NIST
Ip	1989.00		NIST
Ip	2009.00		NIST
Ip	2010.00		NIST
Ip	2017.00		NIST
Ip	1997.00		NIST
Ip	2012.00		NIST
Ip	2000.00		NIST
Ip	2015.00		NIST
Ip	1986.00		NIST
Ip	2006.00		NIST
Ip	2006.00		NIST
Ip	2000.00		NIST
Ip	2006.00		NIST
Ip	2006.00		NIST
Ip	2006.00		NIST
Ip	2006.00		NIST
Ip	2018.00		NIST
Ip	1979.00		NIST
Ip	1978.00		NIST
Ip	2007.00		NIST
Ip	2025.00		NIST
Ip	2000.00		NIST
Ip	1995.00		NIST
Ip	1995.00		NIST
Ip	1993.00		NIST
Ip	2010.00		NIST
Ip	2011.00		NIST
Ip	2011.00		NIST
Ip	2000.00		NIST
Ip	2017.00		NIST
Ip	2021.00		NIST
Ip	2009.00		NIST
Ip	1987.00		NIST
Ip	2006.00		NIST
Ip	1994.00		NIST
Ip	1994.00		NIST
Ip	2025.00		NIST
Ip	1985.00		NIST
Ip	2007.00		NIST
Ip	2000.00		NIST
Ip	2006.00		NIST
Ip	2000.00		NIST
Ip	2000.00		NIST
Ip	2000.00		NIST
Ip	1989.00		NIST
Ip	1988.00		NIST
Ip	2000.00		NIST
Ip	Outlier 1971.00		NIST
Ip	2006.00		NIST
Ip	1986.00		NIST
Ip	1990.00		NIST
Ip	1988.00		NIST
Ip	2000.00		NIST
Ip	1988.00		NIST
Ip	2020.00		NIST
Ip	2017.00		NIST
Ip	1994.00		NIST
Ip	2000.00		NIST
Ip	1989.00		NIST
Ip	1986.00		NIST
Ip	2020.00		NIST
Ip	2006.00		NIST
Ip	1978.00		NIST
Ip	1995.00		NIST
Ip	2010.00		NIST
Ip	2015.00		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
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
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 trans-4,5-Epoxy-(E)-2-decenal.

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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