Chemical Properties of 2,4-Octadienal, (E,E)- (CAS 30361-28-5)

InChI

InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h4-8H,2-3H2,1H3/b5-4+,7-6+

InChI Key

DVVATNQISMINCX-YTXTXJHMSA-N

Formula

C8H12O

SMILES

CCCC=CC=CC=O

Molecular Weight¹

124.18

CAS

30361-28-5

Other Names

• trans,trans-Octa-2,4-dienal
• 2,4-Octadien-1-al
• (E,E)-2,4-Octadien-1-al
• (2E,4E)-2,4-Octadienal
• (E)-2,(E)-4-Octadienal
• (E,E)-2,4-Octadienal
• (E,E)-Octa-2,4-dienal
• (2E,4E)-octa-2,4-dienal
• octa-2,4-dienal
• 2,4-Octadienal, (2E,4E)-

• 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).
• 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
ΔfG°	77.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-59.59	kJ/mol	Joback Calculated Property
ΔfusH°	19.17	kJ/mol	Joback Calculated Property
ΔvapH°	40.04	kJ/mol	Joback Calculated Property
log10WS	-2.16		Crippen Calculated Property
logPoct/wat	2.098		Crippen Calculated Property
McVol	116.550	ml/mol	McGowan Calculated Property
Pc	3059.17	kPa	Joback Calculated Property
Inp	[1086.00; 1124.00]
Inp	1115.00		NIST
Inp	1115.00		NIST
Inp	1116.00		NIST
Inp	1113.00		NIST
Inp	1115.00		NIST
Inp	1115.00		NIST
Inp	1115.00		NIST
Inp	1115.00		NIST
Inp	1115.00		NIST
Inp	1111.00		NIST
Inp	1124.00		NIST
Inp	1113.00		NIST
Inp	1110.00		NIST
Inp	1110.00		NIST
Inp	1111.00		NIST
Inp	1108.00		NIST
Inp	1087.00		NIST
Inp	1090.00		NIST
Inp	1088.00		NIST
Inp	1088.00		NIST
Inp	1110.00		NIST
Inp	1086.00		NIST
Inp	1086.00		NIST
I	[1585.00; 1634.00]
I	1615.00		NIST
I	1605.00		NIST
I	1614.00		NIST
I	1600.00		NIST
I	1605.00		NIST
I	1596.00		NIST
I	1588.00		NIST
I	1605.00		NIST
I	1628.00		NIST
I	1632.00		NIST
I	1601.00		NIST
I	1630.00		NIST
I	1632.00		NIST
I	1634.00		NIST
I	1590.00		NIST
I	1590.00		NIST
I	1585.00		NIST
I	1599.00		NIST
I	1595.00		NIST
Tboil	439.42	K	Joback Calculated Property
Tc	627.33	K	Joback Calculated Property
Tfus	211.76	K	Joback Calculated Property
Vc	0.461	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[225.21; 285.43]	J/mol×K	[439.42; 627.33]
Cp,gas	225.21	J/mol×K	439.42	Joback Calculated Property
Cp,gas	236.72	J/mol×K	470.74	Joback Calculated Property
Cp,gas	247.60	J/mol×K	502.06	Joback Calculated Property
Cp,gas	257.87	J/mol×K	533.38	Joback Calculated Property
Cp,gas	267.58	J/mol×K	564.70	Joback Calculated Property
Cp,gas	276.76	J/mol×K	596.01	Joback Calculated Property
Cp,gas	285.43	J/mol×K	627.33	Joback Calculated Property
η	[0.0002188; 0.0042123]	Pa×s	[211.76; 439.42]
η	0.0042123	Pa×s	211.76	Joback Calculated Property
η	0.0017693	Pa×s	249.70	Joback Calculated Property
η	0.0009343	Pa×s	287.65	Joback Calculated Property
η	0.0005725	Pa×s	325.59	Joback Calculated Property
η	0.0003886	Pa×s	363.53	Joback Calculated Property
η	0.0002838	Pa×s	401.48	Joback Calculated Property
η	0.0002188	Pa×s	439.42	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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