Chemical Properties of 2-Dodecenal (CAS 4826-62-4)

InChI

InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-12H,2-9H2,1H3/b11-10+

InChI Key

SSNZFFBDIMUILS-ZHACJKMWSA-N

Formula

C12H22O

SMILES

CCCCCCCCCC=CC=O

Molecular Weight¹

182.30

CAS

4826-62-4

Other Names

• 2-Dodecanal
• 2-Dodecen-1-al
• dodec-2-en-1-al
• «beta»-Octyl acrolein
• «beta»-Octyl acrolein

• 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).
• P_vap : Vapor 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°	30.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-259.37	kJ/mol	Joback Calculated Property
ΔfusH°	29.33	kJ/mol	Joback Calculated Property
ΔvapH°	48.98	kJ/mol	Joback Calculated Property
log10WS	-3.98		Crippen Calculated Property
logPoct/wat	3.882		Crippen Calculated Property
McVol	177.210	ml/mol	McGowan Calculated Property
Pc	1985.89	kPa	Joback Calculated Property
Inp	[1432.00; 1466.00]
Inp	1466.00		NIST
Inp	1464.00		NIST
Inp	1449.00		NIST
Inp	1432.00		NIST
Inp	1449.00		NIST
Inp	1464.00		NIST
I	[1830.00; 1849.00]
I	1849.00		NIST
I	1830.00		NIST
I	1842.00		NIST
Tboil	526.78	K	Joback Calculated Property
Tc	700.00	K	Joback Calculated Property
Tfus	261.92	K	Joback Calculated Property
Vc	0.705	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[418.84; 500.86]	J/mol×K	[526.78; 700.00]
Cp,gas	418.84	J/mol×K	526.78	Joback Calculated Property
Cp,gas	434.14	J/mol×K	555.65	Joback Calculated Property
Cp,gas	448.75	J/mol×K	584.52	Joback Calculated Property
Cp,gas	462.70	J/mol×K	613.39	Joback Calculated Property
Cp,gas	476.02	J/mol×K	642.26	Joback Calculated Property
Cp,gas	488.73	J/mol×K	671.13	Joback Calculated Property
Cp,gas	500.86	J/mol×K	700.00	Joback Calculated Property
η	[0.0002140; 0.0046993]	Pa×s	[261.92; 526.78]
η	0.0046993	Pa×s	261.92	Joback Calculated Property
η	0.0019373	Pa×s	306.06	Joback Calculated Property
η	0.0009985	Pa×s	350.21	Joback Calculated Property
η	0.0005970	Pa×s	394.35	Joback Calculated Property
η	0.0003959	Pa×s	438.49	Joback Calculated Property
η	0.0002830	Pa×s	482.64	Joback Calculated Property
η	0.0002140	Pa×s	526.78	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[398.72; 571.09]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43767e+01
Coefficient B			-4.38204e+03
Coefficient C			-8.76980e+01
Temperature range, min.			398.72
Temperature range, max.			571.09
Pvap	1.33	kPa	398.72	Calculated Property
Pvap	3.02	kPa	417.87	Calculated Property
Pvap	6.25	kPa	437.02	Calculated Property
Pvap	12.00	kPa	456.18	Calculated Property
Pvap	21.59	kPa	475.33	Calculated Property
Pvap	36.76	kPa	494.48	Calculated Property
Pvap	59.66	kPa	513.63	Calculated Property
Pvap	92.89	kPa	532.79	Calculated Property
Pvap	139.43	kPa	551.94	Calculated Property
Pvap	202.67	kPa	571.09	Calculated Property

Similar Compounds

Find more compounds similar to 2-Dodecenal.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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