Chemical Properties of 4,5-epoxy-2-nonenal

InChI

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

InChI Key

HDVFGBUZSPCZQT-UHFFFAOYSA-N

Formula

C9H16O2

SMILES

CCCCC1OC1CCC=O

Molecular Weight¹

156.22

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4990		Relay (1.0) Calculated Property
ΔfG°	-107.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-352.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.54	kJ/mol	Joback Calculated Property
ΔvapH°	58.74	kJ/mol	Relay (1.0) Calculated Property
IE	9.59	eV	Relay (1.0) Calculated Property
log10WS	-1.37		Relay (1.0) Calculated Property
logPoct/wat	1.923		Crippen Calculated Property
McVol	134.250	ml/mol	McGowan Calculated Property
Pc	2712.67	kPa	Joback Calculated Property
I	[1875.00; 1875.00]
I	1875.00		NIST
I	1875.00		NIST
Tboil	483.21	K	Relay (1.0) Calculated Property
Tc	674.84	K	Relay (1.0) Calculated Property
Tfus	255.54	K	Relay (1.0) Calculated Property
Vc	0.505	m3/kmol	Relay (1.0) Calculated Property

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 4,5-epoxy-2-nonenal.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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