Chemical Properties of (E)-3-nonenal (CAS 109351-28-2)

InChI

InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h6-7,9H,2-5,8H2,1H3/b7-6+

InChI Key

YXEAENVLZOODMT-VOTSOKGWSA-N

Formula

C9H16O

SMILES

CCCCCC=CCC=O

Molecular Weight¹

140.22

CAS

109351-28-2

• 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_np : Non-polar retention indices.
• 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	0.4397		Relay (1.0) Calculated Property
ΔfG°	5.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-246.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.56	kJ/mol	Joback Calculated Property
ΔvapH°	54.66	kJ/mol	Relay (1.0) Calculated Property
IE	9.19	eV	Relay (1.0) Calculated Property
log10WS	-2.81		Relay (1.0) Calculated Property
logPoct/wat	2.712		Crippen Calculated Property
McVol	134.940	ml/mol	McGowan Calculated Property
Pc	2613.74	kPa	Joback Calculated Property
Inp	1100.00		NIST
I	[1351.00; 1351.00]
I	1351.00		NIST
I	1351.00		NIST
Tboil	462.02	K	Relay (1.0) Calculated Property
Tc	650.35	K	Relay (1.0) Calculated Property
Tfus	232.78	K	Relay (1.0) Calculated Property
Vc	0.492	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.31; 443.85]	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			-8.07500e+00
Coefficient B			8.53320e-01
Coefficient C			-5.42600e-04
Coefficient D			1.41200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.31	J/mol×K	273.00	Calculated Property
Cp,gas	232.15	J/mol×K	353.78	Calculated Property
Cp,gas	271.86	J/mol×K	434.56	Calculated Property
Cp,gas	306.90	J/mol×K	515.33	Calculated Property
Cp,gas	337.70	J/mol×K	596.11	Calculated Property
Cp,gas	364.71	J/mol×K	676.89	Calculated Property
Cp,gas	388.39	J/mol×K	757.67	Calculated Property
Cp,gas	409.17	J/mol×K	838.44	Calculated Property
Cp,gas	427.51	J/mol×K	919.22	Calculated Property
Cp,gas	443.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047317; 0.0002774]	Pa×s	[228.11; 445.25]	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			-1.11697e+01
Coefficient B			1.32675e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			228.11
Temperature range, max.			445.25
η	0.0047317	Pa×s	228.11	Calculated Property
η	0.0027127	Pa×s	252.24	Calculated Property
η	0.0017139	Pa×s	276.36	Calculated Property
η	0.0011657	Pa×s	300.49	Calculated Property
η	0.0008396	Pa×s	324.62	Calculated Property
η	0.0006328	Pa×s	348.74	Calculated Property
η	0.0004947	Pa×s	372.87	Calculated Property
η	0.0003985	Pa×s	397.00	Calculated Property
η	0.0003291	Pa×s	421.12	Calculated Property
η	0.0002774	Pa×s	445.25	Calculated Property

Similar Compounds

Find more compounds similar to (E)-3-nonenal.

Sources

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

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