Chemical Properties of 2-Undecenal, E- (CAS 53448-07-0)

InChI

InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9+

InChI Key

PANBRUWVURLWGY-MDZDMXLPSA-N

Formula

C11H20O

SMILES

CCCCCCCCC=CC=O

Molecular Weight¹

168.28

CAS

53448-07-0

Other Names

• (2E)-2-Undecenal
• (E)-2-Undecanal
• (E)-2-Undecenal
• (E)-Undec-2-enal
• 2(E)-Undecenal
• 2-Undecenal, trans
• Undec-2(E)-enal
• trans-2-Undecen-1-al
• trans-2-Undecenal
• trans-Undec-2-enal

• 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	0.5709		Relay (1.0) Calculated Property
ΔfG°	22.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-265.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.74	kJ/mol	Joback Calculated Property
ΔvapH°	66.35	kJ/mol	Relay (1.0) Calculated Property
IE	9.54	eV	Relay (1.0) Calculated Property
log10WS	-4.06		Relay (1.0) Calculated Property
logPoct/wat	3.492		Crippen Calculated Property
McVol	163.120	ml/mol	McGowan Calculated Property
Pc	2167.36	kPa	Joback Calculated Property
Inp	[1318.00; 1381.00]
Inp	1355.00		NIST
Inp	1338.00		NIST
Inp	1342.00		NIST
Inp	1346.00		NIST
Inp	1347.00		NIST
Inp	1361.00		NIST
Inp	1341.00		NIST
Inp	1370.00		NIST
Inp	1367.00		NIST
Inp	1364.00		NIST
Inp	1354.00		NIST
Inp	1361.00		NIST
Inp	1368.00		NIST
Inp	1344.00		NIST
Inp	1337.00		NIST
Inp	1365.00		NIST
Inp	1371.00		NIST
Inp	1360.00		NIST
Inp	1367.00		NIST
Inp	1342.00		NIST
Inp	1340.00		NIST
Inp	1358.00		NIST
Inp	1371.00		NIST
Inp	1371.00		NIST
Inp	1338.00		NIST
Inp	1364.70		NIST
Inp	1369.00		NIST
Inp	1369.00		NIST
Inp	1364.00		NIST
Inp	1371.00		NIST
Inp	1376.00		NIST
Inp	1381.00		NIST
Inp	Outlier 1318.00		NIST
Inp	1366.00		NIST
Inp	1371.00		NIST
Inp	1361.00		NIST
Inp	1358.00		NIST
Inp	1368.00		NIST
Inp	1361.00		NIST
Inp	1348.00		NIST
Inp	1361.00		NIST
Inp	1352.00		NIST
Inp	1361.00		NIST
Inp	1345.00		NIST
Inp	1351.00		NIST
Inp	1345.00		NIST
Inp	1361.00		NIST
Inp	1338.00		NIST
Inp	1339.00		NIST
Inp	1366.00		NIST
Inp	1342.00		NIST
Inp	1340.00		NIST
Inp	1340.00		NIST
Inp	1340.00		NIST
Inp	1345.00		NIST
Inp	1374.00		NIST
Inp	1371.00		NIST
Inp	1373.00		NIST
Inp	1365.00		NIST
Inp	1378.00		NIST
Inp	1365.00		NIST
Inp	1361.00		NIST
Inp	1367.00		NIST
Inp	1366.00		NIST
Inp	1341.00		NIST
Inp	1361.00		NIST
Inp	1371.00		NIST
Inp	1358.00		NIST
Ip	[1703.00; 1790.00]
Ip	1750.00		NIST
Ip	1740.00		NIST
Ip	1739.00		NIST
Ip	1758.00		NIST
Ip	1722.00		NIST
Ip	1760.00		NIST
Ip	1710.00		NIST
Ip	1746.00		NIST
Ip	1761.00		NIST
Ip	1758.00		NIST
Ip	1714.00		NIST
Ip	1751.00		NIST
Ip	1722.00		NIST
Ip	1753.00		NIST
Ip	1722.00		NIST
Ip	1761.00		NIST
Ip	1750.00		NIST
Ip	1753.00		NIST
Ip	1758.00		NIST
Ip	1754.00		NIST
Ip	1761.00		NIST
Ip	1740.00		NIST
Ip	Outlier 1789.00		NIST
Ip	Outlier 1790.00		NIST
Ip	1762.00		NIST
Ip	1761.00		NIST
Ip	1769.00		NIST
Ip	1744.00		NIST
Ip	1754.00		NIST
Ip	1765.00		NIST
Ip	1749.00		NIST
Ip	1752.00		NIST
Ip	1741.00		NIST
Ip	1743.00		NIST
Ip	1785.00		NIST
Ip	1720.00		NIST
Ip	1720.00		NIST
Ip	1740.00		NIST
Ip	1753.00		NIST
Ip	1775.00		NIST
Ip	1764.00		NIST
Ip	1722.00		NIST
Ip	1764.00		NIST
Ip	1720.00		NIST
Ip	1764.00		NIST
Ip	1765.00		NIST
Ip	Outlier 1705.00		NIST
Ip	Outlier 1703.00		NIST
Ip	1736.00		NIST
Ip	1753.00		NIST
Ip	1720.00		NIST
Ip	1736.00		NIST
Tboil	500.89	K	Relay (1.0) Calculated Property
Tc	704.38	K	Relay (1.0) Calculated Property
Tfus	246.02	K	Relay (1.0) Calculated Property
Vc	0.618	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[229.74; 547.03]	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			-9.89300e+00
Coefficient B			1.04332e+00
Coefficient C			-6.51400e-04
Coefficient D			1.65000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	229.74	J/mol×K	273.00	Calculated Property
Cp,gas	284.99	J/mol×K	353.78	Calculated Property
Cp,gas	334.02	J/mol×K	434.56	Calculated Property
Cp,gas	377.35	J/mol×K	515.33	Calculated Property
Cp,gas	415.52	J/mol×K	596.11	Calculated Property
Cp,gas	449.03	J/mol×K	676.89	Calculated Property
Cp,gas	478.42	J/mol×K	757.67	Calculated Property
Cp,gas	504.20	J/mol×K	838.44	Calculated Property
Cp,gas	526.89	J/mol×K	919.22	Calculated Property
Cp,gas	547.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047920; 0.0002755]	Pa×s	[250.65; 475.18]	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			-1.13854e+01
Coefficient B			1.51507e+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.			250.65
Temperature range, max.			475.18
η	0.0047920	Pa×s	250.65	Calculated Property
η	0.0027726	Pa×s	275.60	Calculated Property
η	0.0017567	Pa×s	300.55	Calculated Property
η	0.0011937	Pa×s	325.49	Calculated Property
η	0.0008570	Pa×s	350.44	Calculated Property
η	0.0006430	Pa×s	375.39	Calculated Property
η	0.0005000	Pa×s	400.34	Calculated Property
η	0.0004005	Pa×s	425.28	Calculated Property
η	0.0003287	Pa×s	450.23	Calculated Property
η	0.0002755	Pa×s	475.18	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[385.12; 554.15]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42916e+01
Coefficient B			-4.23130e+03
Coefficient C			-8.29720e+01
Temperature range, min.			385.12
Temperature range, max.			554.15
Pvap	1.33	kPa	385.12	Calculated Property
Pvap	3.03	kPa	403.90	Calculated Property
Pvap	6.27	kPa	422.68	Calculated Property
Pvap	12.04	kPa	441.46	Calculated Property
Pvap	21.67	kPa	460.24	Calculated Property
Pvap	36.89	kPa	479.03	Calculated Property
Pvap	59.84	kPa	497.81	Calculated Property
Pvap	93.08	kPa	516.59	Calculated Property
Pvap	139.57	kPa	535.37	Calculated Property
Pvap	202.63	kPa	554.15	Calculated Property

Similar Compounds

Find more compounds similar to 2-Undecenal, E-.

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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