Chemical Properties of 2,6-Nonadienal, (E,E)- (CAS 17587-33-6)

InChI

InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3+,8-7+

InChI Key

HZYHMHHBBBSGHB-DYWGDJMRSA-N

Formula

C9H14O

SMILES

CCC=CCCC=CC=O

Molecular Weight¹

138.21

CAS

17587-33-6

Other Names

• trans-2-trans-6-Nonadienal
• 2-trans-6-trans-Nonadienal
• 2,6-trans,trans-Nonadienal
• (2E,6E)-2,6-Nonadienal
• (E,E)-2,6-Nonadienal
• (2E,6E)-nona-2,6-dien-1-al

• 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).
• 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_p : 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	0.3833		Relay (1.0) Calculated Property
ΔfG°	85.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-152.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.76	kJ/mol	Joback Calculated Property
ΔvapH°	58.52	kJ/mol	Relay (1.0) Calculated Property
IE	9.40	eV	Relay (1.0) Calculated Property
logPoct/wat	2.488		Crippen Calculated Property
McVol	130.640	ml/mol	McGowan Calculated Property
Pc	2758.46	kPa	Joback Calculated Property
Inp	[1146.00; 1162.00]
Inp	1153.10		NIST
Inp	1152.00		NIST
Inp	1146.00		NIST
Inp	1146.00		NIST
Inp	1162.00		NIST
Inp	1152.00		NIST
Inp	1153.10		NIST
Ip	[1715.00; 1715.00]
Ip	1715.00		NIST
Ip	1715.00		NIST
Tboil	460.57	K	Relay (1.0) Calculated Property
Tc	665.82	K	Relay (1.0) Calculated Property
Tfus	205.28	K	Relay (1.0) Calculated Property
Vc	0.472	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.31; 413.26]	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			-2.22570e+01
Coefficient B			8.73320e-01
Coefficient C			-6.26400e-04
Coefficient D			1.88600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.31	J/mol×K	273.00	Calculated Property
Cp,gas	216.66	J/mol×K	353.78	Calculated Property
Cp,gas	254.44	J/mol×K	434.56	Calculated Property
Cp,gas	287.25	J/mol×K	515.33	Calculated Property
Cp,gas	315.70	J/mol×K	596.11	Calculated Property
Cp,gas	340.37	J/mol×K	676.89	Calculated Property
Cp,gas	361.87	J/mol×K	757.67	Calculated Property
Cp,gas	380.79	J/mol×K	838.44	Calculated Property
Cp,gas	397.72	J/mol×K	919.22	Calculated Property
Cp,gas	413.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0043918; 0.0002247]	Pa×s	[223.03; 454.07]	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			-1.12702e+01
Coefficient B			1.30299e+03
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.			223.03
Temperature range, max.			454.07
η	0.0043918	Pa×s	223.03	Calculated Property
η	0.0024030	Pa×s	248.70	Calculated Property
η	0.0014718	Pa×s	274.37	Calculated Property
η	0.0009804	Pa×s	300.04	Calculated Property
η	0.0006962	Pa×s	325.72	Calculated Property
η	0.0005198	Pa×s	351.39	Calculated Property
η	0.0004038	Pa×s	377.06	Calculated Property
η	0.0003240	Pa×s	402.73	Calculated Property
η	0.0002669	Pa×s	428.40	Calculated Property
η	0.0002247	Pa×s	454.07	Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Nonadienal, (E,E)-.

Sources

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

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