Chemical Properties of 2-Hexenal (CAS 505-57-7)

InChI

InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3

InChI Key

MBDOYVRWFFCFHM-UHFFFAOYSA-N

Formula

C6H10O

SMILES

CCCC=CC=O

Molecular Weight¹

98.14

CAS

505-57-7

Other Names

• 2-Hexen-1-al
• Hex-2-en-1-al
• Hex-2-enal
• Hexylenic aldehyde
• Leaf aldehyde
• n-C3H7CH=CHCHO

• 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	0.3484		Relay (1.0) Calculated Property
ΔfG°	-19.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-155.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.79	kJ/mol	Joback Calculated Property
ΔvapH°	43.67	kJ/mol	Relay (1.0) Calculated Property
IE	9.65	eV	NIST
log10WS	-1.07		Relay (1.0) Calculated Property
logPoct/wat	1.542		Crippen Calculated Property
McVol	92.670	ml/mol	McGowan Calculated Property
Pc	3594.25	kPa	Joback Calculated Property
Inp	[811.00; 866.00]
Inp	840.00		NIST
Inp	832.00		NIST
Inp	832.00		NIST
Inp	835.00		NIST
Inp	854.00		NIST
Inp	857.00		NIST
Inp	854.00		NIST
Inp	850.00		NIST
Inp	860.00		NIST
Inp	860.00		NIST
Inp	848.00		NIST
Inp	841.00		NIST
Inp	862.00		NIST
Inp	838.00		NIST
Inp	854.00		NIST
Inp	828.70		NIST
Inp	851.00		NIST
Inp	826.00		NIST
Inp	839.00		NIST
Inp	832.00		NIST
Inp	823.00		NIST
Inp	825.00		NIST
Inp	833.00		NIST
Inp	853.00		NIST
Inp	854.00		NIST
Inp	856.00		NIST
Inp	843.00		NIST
Inp	839.00		NIST
Inp	865.00		NIST
Inp	850.00		NIST
Inp	852.00		NIST
Inp	841.00		NIST
Inp	Outlier 811.00		NIST
Inp	832.00		NIST
Inp	863.00		NIST
Inp	861.00		NIST
Inp	847.00		NIST
Inp	854.00		NIST
Inp	820.00		NIST
Inp	820.00		NIST
Inp	865.00		NIST
Inp	848.00		NIST
Inp	854.00		NIST
Inp	848.00		NIST
Inp	866.00		NIST
Inp	865.00		NIST
Inp	857.00		NIST
Inp	823.00		NIST
Inp	858.00		NIST
Inp	835.00		NIST
Inp	826.00		NIST
Inp	851.00		NIST
Inp	824.00		NIST
Inp	824.00		NIST
Inp	816.00		NIST
Inp	817.00		NIST
Inp	853.00		NIST
Inp	854.00		NIST
Inp	845.00		NIST
Inp	857.00		NIST
Inp	854.00		NIST
Inp	827.00		NIST
Inp	847.00		NIST
Inp	820.00		NIST
Inp	854.00		NIST
Inp	857.00		NIST
Inp	831.00		NIST
Inp	835.00		NIST
Inp	847.00		NIST
Inp	854.00		NIST
Inp	850.00		NIST
Inp	832.00		NIST
Inp	854.00		NIST
Inp	841.00		NIST
Inp	851.00		NIST
Inp	825.00		NIST
Inp	820.00		NIST
Inp	848.00		NIST
Inp	858.00		NIST
Inp	824.00		NIST
Ip	[1178.00; 1248.00]
Ip	1212.00		NIST
Ip	1207.00		NIST
Ip	1225.00		NIST
Ip	Outlier 1248.00		NIST
Ip	1220.00		NIST
Ip	1216.00		NIST
Ip	1216.00		NIST
Ip	1209.00		NIST
Ip	1207.00		NIST
Ip	Outlier 1178.00		NIST
Ip	1226.00		NIST
Ip	1207.00		NIST
Ip	1201.00		NIST
Ip	1196.00		NIST
Ip	1230.00		NIST
Ip	1213.00		NIST
Ip	1230.00		NIST
Ip	1193.00		NIST
Ip	1216.00		NIST
Ip	1213.00		NIST
Ip	1213.00		NIST
Tboil	407.61	K	Relay (1.0) Calculated Property
Tc	603.40	K	Relay (1.0) Calculated Property
Tfus	181.40	K	Relay (1.0) Calculated Property
Vc	0.345	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[123.67; 289.07]	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			-5.34800e+00
Coefficient B			5.68320e-01
Coefficient C			-3.79400e-04
Coefficient D			1.05500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	123.67	J/mol×K	273.00	Calculated Property
Cp,gas	152.90	J/mol×K	353.78	Calculated Property
Cp,gas	178.63	J/mol×K	434.56	Calculated Property
Cp,gas	201.21	J/mol×K	515.33	Calculated Property
Cp,gas	220.96	J/mol×K	596.11	Calculated Property
Cp,gas	238.23	J/mol×K	676.89	Calculated Property
Cp,gas	253.34	J/mol×K	757.67	Calculated Property
Cp,gas	266.63	J/mol×K	838.44	Calculated Property
Cp,gas	278.43	J/mol×K	919.22	Calculated Property
Cp,gas	289.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038680; 0.0002441]	Pa×s	[194.30; 399.87]	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			-1.09296e+01
Coefficient B			1.04427e+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.			194.30
Temperature range, max.			399.87
η	0.0038680	Pa×s	194.30	Calculated Property
η	0.0021976	Pa×s	217.14	Calculated Property
η	0.0013905	Pa×s	239.98	Calculated Property
η	0.0009526	Pa×s	262.82	Calculated Property
η	0.0006933	Pa×s	285.67	Calculated Property
η	0.0005289	Pa×s	308.51	Calculated Property
η	0.0004189	Pa×s	331.35	Calculated Property
η	0.0003418	Pa×s	354.19	Calculated Property
η	0.0002859	Pa×s	377.03	Calculated Property
η	0.0002441	Pa×s	399.87	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.68]	kPa	[312.72; 428.75]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.63489e+01
Coefficient B			-4.09415e+03
Coefficient C			-5.78130e+01
Temperature range, min.			312.72
Temperature range, max.			428.75
Pvap	1.33	kPa	312.72	Calculated Property
Pvap	2.89	kPa	325.61	Calculated Property
Pvap	5.83	kPa	338.50	Calculated Property
Pvap	11.06	kPa	351.40	Calculated Property
Pvap	19.89	kPa	364.29	Calculated Property
Pvap	34.10	kPa	377.18	Calculated Property
Pvap	56.08	kPa	390.07	Calculated Property
Pvap	88.86	kPa	402.97	Calculated Property
Pvap	136.21	kPa	415.86	Calculated Property
Pvap	202.68	kPa	428.75	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hexenal.

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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