Chemical Properties of 2,4-Dodecadienal, (E,E)- (CAS 21662-16-8)

InChI

InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-12H,2-7H2,1H3/b9-8+,11-10+

InChI Key

QKTZBZWNADPFOL-BNFZFUHLSA-N

Formula

C12H20O

SMILES

CCCCCCCC=CC=CC=O

Molecular Weight¹

180.29

CAS

21662-16-8

Other Names

• (2E,4E)-2,4-Dodecadienal
• (2E,4E)-dodeca-2,4-dienal
• (E,E)-2,4-Dodecadien-1-al
• (E,E)-2,4-Dodecadienal
• (trans,trans)-2,4-Dodecadienal
• 2,4-Dodecadien-1-al
• 2,4-Dodecadienal, trans,trans-

• 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	0.5424		Relay (1.0) Calculated Property
ΔfG°	111.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-211.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.53	kJ/mol	Joback Calculated Property
ΔvapH°	68.42	kJ/mol	Relay (1.0) Calculated Property
IE	8.91	eV	Relay (1.0) Calculated Property
log10WS	-4.24		Relay (1.0) Calculated Property
logPoct/wat	3.658		Crippen Calculated Property
McVol	172.910	ml/mol	McGowan Calculated Property
Pc	2081.22	kPa	Joback Calculated Property
Inp	[1488.00; 1524.00]
Inp	1488.00		NIST
Inp	1492.00		NIST
Inp	1524.00		NIST
Inp	1488.00		NIST
Inp	1524.00		NIST
I	[2018.00; 2027.00]
I	2018.00		NIST
I	2027.00		NIST
I	2027.00		NIST
Tboil	511.21	K	Relay (1.0) Calculated Property
Tc	711.84	K	Relay (1.0) Calculated Property
Tfus	293.28	K	Relay (1.0) Calculated Property
Vc	0.631	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[236.95; 568.04]	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			-2.49840e+01
Coefficient B			1.15832e+00
Coefficient C			-7.89600e-04
Coefficient D			2.24300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	236.95	J/mol×K	273.00	Calculated Property
Cp,gas	295.91	J/mol×K	353.78	Calculated Property
Cp,gas	347.67	J/mol×K	434.56	Calculated Property
Cp,gas	392.94	J/mol×K	515.33	Calculated Property
Cp,gas	432.43	J/mol×K	596.11	Calculated Property
Cp,gas	466.86	J/mol×K	676.89	Calculated Property
Cp,gas	496.92	J/mol×K	757.67	Calculated Property
Cp,gas	523.33	J/mol×K	838.44	Calculated Property
Cp,gas	546.80	J/mol×K	919.22	Calculated Property
Cp,gas	568.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0043899; 0.0002207]	Pa×s	[256.84; 498.18]	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			-1.16014e+01
Coefficient B			1.58547e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			256.84
Temperature range, max.			498.18
η	0.0043899	Pa×s	256.84	Calculated Property
η	0.0024492	Pa×s	283.66	Calculated Property
η	0.0015113	Pa×s	310.47	Calculated Property
η	0.0010070	Pa×s	337.29	Calculated Property
η	0.0007123	Pa×s	364.10	Calculated Property
η	0.0005284	Pa×s	390.92	Calculated Property
η	0.0004073	Pa×s	417.73	Calculated Property
η	0.0003239	Pa×s	444.55	Calculated Property
η	0.0002645	Pa×s	471.36	Calculated Property
η	0.0002207	Pa×s	498.18	Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Dodecadienal, (E,E)-.

Sources

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

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