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

• 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).
• 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
ω	0.6098		Relay (1.0) Calculated Property
ΔfG°	30.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-287.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.33	kJ/mol	Joback Calculated Property
ΔvapH°	71.28	kJ/mol	Relay (1.0) Calculated Property
IE	9.54	eV	Relay (1.0) Calculated Property
log10WS	-4.58		Relay (1.0) 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	517.14	K	Relay (1.0) Calculated Property
Tc	719.11	K	Relay (1.0) Calculated Property
Tfus	258.46	K	Relay (1.0) Calculated Property
Vc	0.674	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[250.96; 598.62]	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			-1.08020e+01
Coefficient B			1.13832e+00
Coefficient C			-7.05800e-04
Coefficient D			1.76900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	250.96	J/mol×K	273.00	Calculated Property
Cp,gas	311.41	J/mol×K	353.78	Calculated Property
Cp,gas	365.10	J/mol×K	434.56	Calculated Property
Cp,gas	412.58	J/mol×K	515.33	Calculated Property
Cp,gas	454.43	J/mol×K	596.11	Calculated Property
Cp,gas	491.19	J/mol×K	676.89	Calculated Property
Cp,gas	523.44	J/mol×K	757.67	Calculated Property
Cp,gas	551.71	J/mol×K	838.44	Calculated Property
Cp,gas	576.59	J/mol×K	919.22	Calculated Property
Cp,gas	598.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046993; 0.0002688]	Pa×s	[261.92; 490.19]	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			-1.15043e+01
Coefficient B			1.60923e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			261.92
Temperature range, max.			490.19
η	0.0046993	Pa×s	261.92	Calculated Property
η	0.0027319	Pa×s	287.28	Calculated Property
η	0.0017343	Pa×s	312.65	Calculated Property
η	0.0011786	Pa×s	338.01	Calculated Property
η	0.0008454	Pa×s	363.37	Calculated Property
η	0.0006333	Pa×s	388.73	Calculated Property
η	0.0004914	Pa×s	414.10	Calculated Property
η	0.0003927	Pa×s	439.46	Calculated Property
η	0.0003216	Pa×s	464.82	Calculated Property
η	0.0002688	Pa×s	490.19	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[398.72; 571.09]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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