Chemical Properties of 2,4-Nonadienal, (E,E)- (CAS 5910-87-2)

InChI

InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3/b6-5+,8-7+

InChI Key

ZHHYXNZJDGDGPJ-BSWSSELBSA-N

Formula

C9H14O

SMILES

CCCCC=CC=CC=O

Molecular Weight¹

138.21

CAS

5910-87-2

Other Names

• 2,4-trans,trans-Nonadienal
• 2,4-Nonadien-1-al
• (2E,4E)-2,4-Nonadienal
• 2,4-(E,E)-Nonadienal
• (2E,4E)-Nonadienal
• (E,E)-2,4-Nonadienal
• (E,E)-2,4-Nonadien-1-al
• (E,E)-Nona-2,4-dienal
• Nona-trans-2,trans-4-dienal
• trans, trans-2,4-Nonadienal
• trans,trans-Nona-2,4-dienal
• (E; E)-2,4-nonadienal
• (E,E)-Nona-2,4-dienaI

• 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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.4023		Relay (1.0) Calculated Property
ΔfG°	85.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-145.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.76	kJ/mol	Joback Calculated Property
ΔvapH°	56.29	kJ/mol	Relay (1.0) Calculated Property
IE	8.91	eV	Relay (1.0) Calculated Property
log10WS	-2.58		Relay (1.0) Calculated Property
logPoct/wat	2.488		Crippen Calculated Property
McVol	130.640	ml/mol	McGowan Calculated Property
Pc	2758.46	kPa	Joback Calculated Property
Inp	[1180.00; 1235.00]
Inp	1207.00		NIST
Inp	Outlier 1184.00		NIST
Inp	1187.00		NIST
Inp	1193.00		NIST
Inp	1194.00		NIST
Inp	1204.00		NIST
Inp	1210.00		NIST
Inp	1195.00		NIST
Inp	1210.00		NIST
Inp	1215.70		NIST
Inp	1220.00		NIST
Inp	1188.00		NIST
Inp	1188.00		NIST
Inp	1211.00		NIST
Inp	1209.00		NIST
Inp	1217.00		NIST
Inp	1217.00		NIST
Inp	1224.00		NIST
Inp	1211.00		NIST
Inp	1219.00		NIST
Inp	1220.00		NIST
Inp	1221.00		NIST
Inp	1217.00		NIST
Inp	1211.00		NIST
Inp	1218.00		NIST
Inp	1211.00		NIST
Inp	1232.00		NIST
Inp	1205.00		NIST
Inp	1211.00		NIST
Inp	Outlier 1182.90		NIST
Inp	1213.90		NIST
Inp	1213.00		NIST
Inp	1224.00		NIST
Inp	1218.00		NIST
Inp	1222.00		NIST
Inp	1217.00		NIST
Inp	1211.00		NIST
Inp	1223.00		NIST
Inp	1209.00		NIST
Inp	1216.00		NIST
Inp	1215.00		NIST
Inp	1229.00		NIST
Inp	1211.00		NIST
Inp	1212.00		NIST
Inp	1215.00		NIST
Inp	1215.00		NIST
Inp	1204.00		NIST
Inp	1211.00		NIST
Inp	1217.00		NIST
Inp	1212.00		NIST
Inp	1210.00		NIST
Inp	1210.00		NIST
Inp	1222.00		NIST
Inp	1216.00		NIST
Inp	1215.00		NIST
Inp	1216.00		NIST
Inp	Outlier 1183.00		NIST
Inp	1213.00		NIST
Inp	1223.00		NIST
Inp	1235.00		NIST
Inp	1214.00		NIST
Inp	1214.00		NIST
Inp	1229.00		NIST
Inp	1230.00		NIST
Inp	1214.00		NIST
Inp	1232.00		NIST
Inp	1214.00		NIST
Inp	1222.00		NIST
Inp	1211.00		NIST
Inp	1193.00		NIST
Inp	1216.00		NIST
Inp	1216.00		NIST
Inp	1211.00		NIST
Inp	1217.00		NIST
Inp	1215.00		NIST
Inp	1224.00		NIST
Inp	1193.00		NIST
Inp	1204.00		NIST
Inp	Outlier 1180.00		NIST
Inp	1216.00		NIST
Inp	1216.00		NIST
Inp	1190.00		NIST
Inp	1191.00		NIST
Inp	1216.00		NIST
Inp	Outlier 1184.00		NIST
Inp	1188.00		NIST
Inp	1191.00		NIST
Inp	Outlier 1185.00		NIST
Inp	Outlier 1185.00		NIST
Inp	1188.00		NIST
Inp	1235.00		NIST
Inp	1218.00		NIST
Inp	1229.00		NIST
Inp	1218.00		NIST
Inp	1220.00		NIST
Inp	1216.00		NIST
Inp	1215.00		NIST
Inp	1215.00		NIST
Inp	1218.00		NIST
Inp	1223.00		NIST
Inp	1216.00		NIST
Inp	1219.00		NIST
Inp	1223.00		NIST
Inp	1221.00		NIST
Inp	1203.00		NIST
Inp	1213.00		NIST
Inp	1215.00		NIST
Inp	1216.00		NIST
Inp	1218.00		NIST
Inp	1215.00		NIST
Inp	1215.00		NIST
Inp	1215.00		NIST
Inp	1213.00		NIST
Inp	1211.00		NIST
Inp	1216.00		NIST
Inp	1216.00		NIST
Inp	Outlier 1184.00		NIST
Inp	1213.00		NIST
Inp	1229.00		NIST
Inp	1222.00		NIST
Inp	1211.00		NIST
Inp	1204.00		NIST
Inp	1191.00		NIST
Inp	Outlier 1185.00		NIST
Inp	1235.00		NIST
Inp	1216.00		NIST
Inp	1215.00		NIST
Ip	[1660.00; 1747.00]
Ip	1698.00		NIST
Ip	1691.00		NIST
Ip	1696.00		NIST
Ip	1688.00		NIST
Ip	1702.00		NIST
Ip	1681.00		NIST
Ip	1686.00		NIST
Ip	1705.00		NIST
Ip	1686.00		NIST
Ip	1709.00		NIST
Ip	1664.00		NIST
Ip	1664.00		NIST
Ip	1681.00		NIST
Ip	1683.00		NIST
Ip	1701.00		NIST
Ip	1706.00		NIST
Ip	1706.00		NIST
Ip	1704.00		NIST
Ip	1695.00		NIST
Ip	1698.00		NIST
Ip	1698.00		NIST
Ip	1693.00		NIST
Ip	1698.00		NIST
Ip	1698.00		NIST
Ip	1704.00		NIST
Ip	1677.00		NIST
Ip	1675.00		NIST
Ip	1710.00		NIST
Ip	1700.00		NIST
Ip	1703.00		NIST
Ip	1690.00		NIST
Ip	1700.00		NIST
Ip	1710.00		NIST
Ip	1696.00		NIST
Ip	Outlier 1745.00		NIST
Ip	1712.00		NIST
Ip	Outlier 1741.00		NIST
Ip	Outlier 1744.00		NIST
Ip	Outlier 1747.00		NIST
Ip	1682.00		NIST
Ip	1682.00		NIST
Ip	1705.00		NIST
Ip	1703.00		NIST
Ip	1705.00		NIST
Ip	1716.00		NIST
Ip	1705.00		NIST
Ip	1702.00		NIST
Ip	1701.00		NIST
Ip	1687.00		NIST
Ip	1698.00		NIST
Ip	1680.00		NIST
Ip	1708.00		NIST
Ip	1738.00		NIST
Ip	1691.00		NIST
Ip	1693.00		NIST
Ip	1738.00		NIST
Ip	1697.00		NIST
Ip	1693.00		NIST
Ip	Outlier 1660.00		NIST
Ip	1698.00		NIST
Ip	1718.00		NIST
Ip	1715.00		NIST
Ip	1715.00		NIST
Ip	Outlier 1740.00		NIST
Ip	1736.00		NIST
Ip	1715.00		NIST
Ip	1683.00		NIST
Ip	1715.00		NIST
Ip	1680.00		NIST
Ip	1696.00		NIST
Ip	1715.00		NIST
Ip	1670.00		NIST
Ip	1708.00		NIST
Ip	1681.00		NIST
Ip	1696.00		NIST
Ip	1703.00		NIST
Ip	1703.00		NIST
Ip	1699.00		NIST
Ip	1686.00		NIST
Ip	1708.00		NIST
Ip	1697.00		NIST
Ip	1698.00		NIST
Ip	1681.00		NIST
Ip	1664.00		NIST
Ip	1706.00		NIST
Ip	1736.00		NIST
Ip	1696.00		NIST
Ip	1708.00		NIST
Ip	Outlier 1745.00		NIST
Ip	1682.00		NIST
Ip	1716.00		NIST
Ip	1693.00		NIST
Tboil	461.03	K	Relay (1.0) Calculated Property
Tc	658.84	K	Relay (1.0) Calculated Property
Tfus	264.70	K	Relay (1.0) Calculated Property
Vc	0.470	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.31; 413.26]	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			-2.22570e+01
Coefficient B			8.73320e-01
Coefficient C			-6.26400e-04
Coefficient D			1.88600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.31	J/mol×K	273.00	Calculated Property
Cp,gas	216.66	J/mol×K	353.78	Calculated Property
Cp,gas	254.44	J/mol×K	434.56	Calculated Property
Cp,gas	287.25	J/mol×K	515.33	Calculated Property
Cp,gas	315.70	J/mol×K	596.11	Calculated Property
Cp,gas	340.37	J/mol×K	676.89	Calculated Property
Cp,gas	361.87	J/mol×K	757.67	Calculated Property
Cp,gas	380.79	J/mol×K	838.44	Calculated Property
Cp,gas	397.72	J/mol×K	919.22	Calculated Property
Cp,gas	413.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0043918; 0.0002247]	Pa×s	[223.03; 454.07]	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			-1.12702e+01
Coefficient B			1.30299e+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.			223.03
Temperature range, max.			454.07
η	0.0043918	Pa×s	223.03	Calculated Property
η	0.0024030	Pa×s	248.70	Calculated Property
η	0.0014718	Pa×s	274.37	Calculated Property
η	0.0009804	Pa×s	300.04	Calculated Property
η	0.0006962	Pa×s	325.72	Calculated Property
η	0.0005198	Pa×s	351.39	Calculated Property
η	0.0004038	Pa×s	377.06	Calculated Property
η	0.0003240	Pa×s	402.73	Calculated Property
η	0.0002669	Pa×s	428.40	Calculated Property
η	0.0002247	Pa×s	454.07	Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Nonadienal, (E,E)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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