Chemical Properties of 4-Nonenal, (E)- (CAS 2277-16-9)

InChI

InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h5-6,9H,2-4,7-8H2,1H3/b6-5+

InChI Key

QPULDJYQYDGZEI-AATRIKPKSA-N

Formula

C9H16O

SMILES

CCCCC=CCCC=O

Molecular Weight¹

140.22

CAS

2277-16-9

Other Names

• trans-4-Nonenal
• (Z)-4-Nonenal

• 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_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	0.4415		Relay (1.0) Calculated Property
ΔfG°	5.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-258.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.56	kJ/mol	Joback Calculated Property
ΔvapH°	56.01	kJ/mol	Relay (1.0) Calculated Property
IE	9.07	eV	Relay (1.0) Calculated Property
log10WS	-2.45		Relay (1.0) Calculated Property
logPoct/wat	2.712		Crippen Calculated Property
McVol	134.940	ml/mol	McGowan Calculated Property
Pc	2613.74	kPa	Joback Calculated Property
Inp	[1071.00; 1105.00]
Inp	1105.00		NIST
Inp	1071.00		NIST
Inp	1105.00		NIST
Ip	[1427.00; 1458.00]
Ip	1427.00		NIST
Ip	1458.00		NIST
Ip	1435.00		NIST
Ip	1435.00		NIST
Ip	1427.00		NIST
Tboil	458.61	K	Relay (1.0) Calculated Property
Tc	649.02	K	Relay (1.0) Calculated Property
Tfus	210.34	K	Relay (1.0) Calculated Property
Vc	0.498	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.31; 443.85]	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			-8.07500e+00
Coefficient B			8.53320e-01
Coefficient C			-5.42600e-04
Coefficient D			1.41200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.31	J/mol×K	273.00	Calculated Property
Cp,gas	232.15	J/mol×K	353.78	Calculated Property
Cp,gas	271.86	J/mol×K	434.56	Calculated Property
Cp,gas	306.90	J/mol×K	515.33	Calculated Property
Cp,gas	337.70	J/mol×K	596.11	Calculated Property
Cp,gas	364.71	J/mol×K	676.89	Calculated Property
Cp,gas	388.39	J/mol×K	757.67	Calculated Property
Cp,gas	409.17	J/mol×K	838.44	Calculated Property
Cp,gas	427.51	J/mol×K	919.22	Calculated Property
Cp,gas	443.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047317; 0.0002774]	Pa×s	[228.11; 445.25]	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			-1.11697e+01
Coefficient B			1.32675e+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.			228.11
Temperature range, max.			445.25
η	0.0047317	Pa×s	228.11	Calculated Property
η	0.0027127	Pa×s	252.24	Calculated Property
η	0.0017139	Pa×s	276.36	Calculated Property
η	0.0011657	Pa×s	300.49	Calculated Property
η	0.0008396	Pa×s	324.62	Calculated Property
η	0.0006328	Pa×s	348.74	Calculated Property
η	0.0004947	Pa×s	372.87	Calculated Property
η	0.0003985	Pa×s	397.00	Calculated Property
η	0.0003291	Pa×s	421.12	Calculated Property
η	0.0002774	Pa×s	445.25	Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.