Chemical Properties of 10-Undecenal (CAS 112-45-8)

InChI

InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11H,1,3-10H2

InChI Key

OFHHDSQXFXLTKC-UHFFFAOYSA-N

Formula

C11H20O

SMILES

C=CCCCCCCCCC=O

Molecular Weight¹

168.28

CAS

112-45-8

Other Names

• 1-Undecen-10-al
• 10-Hendecenal
• 10-Undecen-1-al
• 10-Undecenyl aldehyde
• 10-Undecylenealdehyde
• Aldehyde C-11, undecylenic
• C-11 Aldehyde, undecylenic
• Hendecenal
• NSC 44900
• Undec-10-en-1-al
• Undec-10-en-al
• Undecylenaldehyde
• Undecylene aldehyde
• Undecylenic aldehyde
• n-Undecylenic 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	0.5827		Relay (1.0) Calculated Property
ΔfG°	30.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-267.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.25	kJ/mol	Joback Calculated Property
ΔvapH°	67.06	kJ/mol	Relay (1.0) Calculated Property
IE	9.37	eV	Relay (1.0) Calculated Property
log10WS	-3.82		Relay (1.0) Calculated Property
logPoct/wat	3.492		Crippen Calculated Property
McVol	163.120	ml/mol	McGowan Calculated Property
Pc	2147.32	kPa	Joback Calculated Property
Inp	[1277.20; 1313.00]
Inp	1277.20		NIST
Inp	1279.00		NIST
Inp	1297.00		NIST
Inp	1313.00		NIST
Inp	1288.00		NIST
Inp	1278.00		NIST
Inp	1280.00		NIST
Inp	1279.00		NIST
Inp	1313.00		NIST
Ip	[1642.00; 1690.00]
Ip	1675.00		NIST
Ip	1690.00		NIST
Ip	1642.00		NIST
Ip	1642.00		NIST
Ip	1675.00		NIST
Tboil	499.48	K	Relay (1.0) Calculated Property
Tc	702.38	K	Relay (1.0) Calculated Property
Tfus	275.59	K	Relay (1.0) Calculated Property
Vc	0.612	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.94; 549.10]	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			1.29800e+00
Coefficient B			1.00330e+00
Coefficient C			-5.90500e-04
Coefficient D			1.35000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	233.94	J/mol×K	273.00	Calculated Property
Cp,gas	288.31	J/mol×K	353.78	Calculated Property
Cp,gas	336.86	J/mol×K	434.56	Calculated Property
Cp,gas	379.99	J/mol×K	515.33	Calculated Property
Cp,gas	418.14	J/mol×K	596.11	Calculated Property
Cp,gas	451.73	J/mol×K	676.89	Calculated Property
Cp,gas	481.20	J/mol×K	757.67	Calculated Property
Cp,gas	506.97	J/mol×K	838.44	Calculated Property
Cp,gas	529.46	J/mol×K	919.22	Calculated Property
Cp,gas	549.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047017; 0.0003331]	Pa×s	[253.97; 467.04]	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			-1.11624e+01
Coefficient B			1.47367e+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.			253.97
Temperature range, max.			467.04
η	0.0047017	Pa×s	253.97	Calculated Property
η	0.0028667	Pa×s	277.64	Calculated Property
η	0.0018891	Pa×s	301.32	Calculated Property
η	0.0013229	Pa×s	324.99	Calculated Property
η	0.0009724	Pa×s	348.67	Calculated Property
η	0.0007432	Pa×s	372.34	Calculated Property
η	0.0005866	Pa×s	396.02	Calculated Property
η	0.0004756	Pa×s	419.69	Calculated Property
η	0.0003942	Pa×s	443.36	Calculated Property
η	0.0003331	Pa×s	467.04	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[385.12; 544.37]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.48436e+01
Coefficient B			-4.39806e+03
Coefficient C			-8.29720e+01
Temperature range, min.			385.12
Temperature range, max.			544.37
Pvap	1.33	kPa	385.12	Calculated Property
Pvap	2.98	kPa	402.81	Calculated Property
Pvap	6.13	kPa	420.51	Calculated Property
Pvap	11.74	kPa	438.20	Calculated Property
Pvap	21.12	kPa	455.90	Calculated Property
Pvap	36.03	kPa	473.59	Calculated Property
Pvap	58.69	kPa	491.29	Calculated Property
Pvap	91.81	kPa	508.98	Calculated Property
Pvap	138.58	kPa	526.68	Calculated Property
Pvap	202.66	kPa	544.37	Calculated Property

Similar Compounds

Find more compounds similar to 10-Undecenal.

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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