Chemical Properties of Hexa-2,4-dienal (CAS 80466-34-8)

InChI

InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+

InChI Key

BATOPAZDIZEVQF-MQQKCMAXSA-N

Formula

C6H8O

SMILES

CC=CC=CC=O

Molecular Weight¹

96.13

CAS

80466-34-8

Other Names

• 2,4-Hexadienal
• 2,4-Hexadien-1-al

• 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°	60.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-18.31	kJ/mol	Joback Calculated Property
ΔfusH°	13.99	kJ/mol	Joback Calculated Property
ΔvapH°	35.59	kJ/mol	Joback Calculated Property
log10WS	-1.32		Crippen Calculated Property
logPoct/wat	1.318		Crippen Calculated Property
McVol	88.370	ml/mol	McGowan Calculated Property
Pc	3829.28	kPa	Joback Calculated Property
Inp	[872.00; 918.00]
Inp	892.00		NIST
Inp	908.00		NIST
Inp	905.00		NIST
Inp	902.00		NIST
Inp	907.00		NIST
Inp	Outlier 872.00		NIST
Inp	876.00		NIST
Inp	915.00		NIST
Inp	907.00		NIST
Inp	887.00		NIST
Inp	889.00		NIST
Inp	904.00		NIST
Inp	904.00		NIST
Inp	918.00		NIST
Inp	913.00		NIST
Inp	875.00		NIST
Inp	899.00		NIST
Inp	879.00		NIST
Inp	876.00		NIST
Inp	911.00		NIST
Inp	910.00		NIST
Inp	910.00		NIST
Inp	892.00		NIST
Inp	911.00		NIST
Inp	905.00		NIST
Inp	915.00		NIST
Inp	904.00		NIST
I	[1368.00; 1441.00]
I	1408.00		NIST
I	1397.00		NIST
I	1406.00		NIST
I	1397.00		NIST
I	1402.00		NIST
I	1368.00		NIST
I	1441.00		NIST
Tboil	393.66	K	Joback Calculated Property
Tc	584.72	K	Joback Calculated Property
Tfus	189.22	K	Joback Calculated Property
Vc	0.348	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[149.61; 196.67]	J/mol×K	[393.66; 584.72]
Cp,gas	149.61	J/mol×K	393.66	Joback Calculated Property
Cp,gas	158.72	J/mol×K	425.50	Joback Calculated Property
Cp,gas	167.28	J/mol×K	457.35	Joback Calculated Property
Cp,gas	175.32	J/mol×K	489.19	Joback Calculated Property
Cp,gas	182.88	J/mol×K	521.04	Joback Calculated Property
Cp,gas	189.99	J/mol×K	552.88	Joback Calculated Property
Cp,gas	196.67	J/mol×K	584.72	Joback Calculated Property
η	[0.0002152; 0.0035420]	Pa×s	[189.22; 393.66]
η	0.0035420	Pa×s	189.22	Joback Calculated Property
η	0.0015554	Pa×s	223.29	Joback Calculated Property
η	0.0008493	Pa×s	257.37	Joback Calculated Property
η	0.0005342	Pa×s	291.44	Joback Calculated Property
η	0.0003703	Pa×s	325.51	Joback Calculated Property
η	0.0002751	Pa×s	359.59	Joback Calculated Property
η	0.0002152	Pa×s	393.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexa-2,4-dienal.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.