Chemical Properties of trans-2,3-epoxynonanal

InChI

InChI=1S/C9H16O2/c1-2-3-4-5-6-8-9(7-10)11-8/h7-9H,2-6H2,1H3/t8-,9-/m0/s1

InChI Key

CXWONQXFWHZHPN-IUCAKERBSA-N

Formula

C9H16O2

SMILES

CCCCCCC1OC1C=O

Molecular Weight¹

156.22

• 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°	28.54	kJ/mol	Joback Calculated Property
logPoct/wat	1.923		Crippen Calculated Property
McVol	134.250	ml/mol	McGowan Calculated Property
Inp	[1194.00; 1194.00]
Inp	1194.00		NIST
Inp	1194.00		NIST
Ip	[1653.00; 1653.00]
Ip	1653.00		NIST
Ip	1653.00		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	[197.50; 480.35]	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			-2.08750e+01
Coefficient B			9.54720e-01
Coefficient C			-6.09700e-04
Coefficient D			1.56200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	197.50	J/mol×K	273.00	Calculated Property
Cp,gas	247.49	J/mol×K	353.78	Calculated Property
Cp,gas	291.69	J/mol×K	434.56	Calculated Property
Cp,gas	330.58	J/mol×K	515.33	Calculated Property
Cp,gas	364.68	J/mol×K	596.11	Calculated Property
Cp,gas	394.46	J/mol×K	676.89	Calculated Property
Cp,gas	420.42	J/mol×K	757.67	Calculated Property
Cp,gas	443.06	J/mol×K	838.44	Calculated Property
Cp,gas	462.87	J/mol×K	919.22	Calculated Property
Cp,gas	480.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023518; 0.0006875]	Pa×s	[273.46; 466.07]	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			-9.02870e+00
Coefficient B			8.13850e+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.			273.46
Temperature range, max.			466.07
η	0.0023518	Pa×s	273.46	Calculated Property
η	0.0018949	Pa×s	294.86	Calculated Property
η	0.0015721	Pa×s	316.26	Calculated Property
η	0.0013355	Pa×s	337.66	Calculated Property
η	0.0011568	Pa×s	359.07	Calculated Property
η	0.0010183	Pa×s	380.47	Calculated Property
η	0.0009087	Pa×s	401.87	Calculated Property
η	0.0008202	Pa×s	423.27	Calculated Property
η	0.0007477	Pa×s	444.67	Calculated Property
η	0.0006875	Pa×s	466.07	Calculated Property

Similar Compounds

Find more compounds similar to trans-2,3-epoxynonanal.

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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