Chemical Properties of Undecanal, 2-methyl- (CAS 110-41-8)

InChI

InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h11-12H,3-10H2,1-2H3

InChI Key

NFAVNWJJYQAGNB-UHFFFAOYSA-N

Formula

C12H24O

SMILES

CCCCCCCCCC(C)C=O

Molecular Weight¹

184.32

CAS

110-41-8

Other Names

• 2-Methyl-1-undecanal
• 2-Methylundecanal
• Aldehyde C-12
• Aldehyde M.N.A.
• MNA
• Methyl-n-nonylacetaldehyde
• Methylnonylacetaldehyde
• Methylnonylacetic aldehyde

• 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_p : 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	0.6122		Relay (1.0) Calculated Property
ΔfG°	-51.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-389.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.60	kJ/mol	Joback Calculated Property
ΔvapH°	65.39	kJ/mol	Relay (1.0) Calculated Property
IE	9.53	eV	Relay (1.0) Calculated Property
log10WS	-4.72		Relay (1.0) Calculated Property
logPoct/wat	3.962		Crippen Calculated Property
McVol	181.510	ml/mol	McGowan Calculated Property
Pc	1910.24	kPa	Joback Calculated Property
Inp	[1306.00; 1363.00]
Inp	1349.80		NIST
Inp	1363.00		NIST
Inp	1306.00		NIST
Inp	1306.00		NIST
Inp	1306.00		NIST
Inp	1353.00		NIST
Inp	1363.00		NIST
Inp	1349.80		NIST
Ip	[1609.00; 1644.00]
Ip	1636.00		NIST
Ip	1644.00		NIST
Ip	1609.00		NIST
Tboil	444.20	K	NIST
Tc	689.20	K	Relay (1.0) Calculated Property
Tfus	263.83	K	Relay (1.0) Calculated Property
Vc	0.696	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[264.64; 629.74]	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			1.69800e+00
Coefficient B			1.12424e+00
Coefficient C			-6.25200e-04
Coefficient D			1.29000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	264.64	J/mol×K	273.00	Calculated Property
Cp,gas	326.89	J/mol×K	353.78	Calculated Property
Cp,gas	382.77	J/mol×K	434.56	Calculated Property
Cp,gas	432.68	J/mol×K	515.33	Calculated Property
Cp,gas	477.03	J/mol×K	596.11	Calculated Property
Cp,gas	516.24	J/mol×K	676.89	Calculated Property
Cp,gas	550.70	J/mol×K	757.67	Calculated Property
Cp,gas	580.84	J/mol×K	838.44	Calculated Property
Cp,gas	607.05	J/mol×K	919.22	Calculated Property
Cp,gas	629.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0073643; 0.0003060]	Pa×s	[252.00; 484.39]	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			-1.15413e+01
Coefficient B			1.67081e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			252.00
Temperature range, max.			484.39
η	0.0073643	Pa×s	252.00	Calculated Property
η	0.0039766	Pa×s	277.82	Calculated Property
η	0.0023846	Pa×s	303.64	Calculated Property
η	0.0015492	Pa×s	329.46	Calculated Property
η	0.0010717	Pa×s	355.28	Calculated Property
η	0.0007793	Pa×s	381.10	Calculated Property
η	0.0005900	Pa×s	406.92	Calculated Property
η	0.0004618	Pa×s	432.75	Calculated Property
η	0.0003716	Pa×s	458.57	Calculated Property
η	0.0003060	Pa×s	484.39	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[397.40; 551.09]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.55071e+01
Coefficient B			-4.74693e+03
Coefficient C			-8.55010e+01
Temperature range, min.			397.40
Temperature range, max.			551.09
Pvap	1.33	kPa	397.40	Calculated Property
Pvap	2.94	kPa	414.48	Calculated Property
Pvap	5.99	kPa	431.55	Calculated Property
Pvap	11.41	kPa	448.63	Calculated Property
Pvap	20.53	kPa	465.71	Calculated Property
Pvap	35.11	kPa	482.78	Calculated Property
Pvap	57.45	kPa	499.86	Calculated Property
Pvap	90.42	kPa	516.94	Calculated Property
Pvap	137.46	kPa	534.01	Calculated Property
Pvap	202.66	kPa	551.09	Calculated Property

Similar Compounds

Find more compounds similar to Undecanal, 2-methyl-.

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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