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

• 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 : 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
ΔfG°	-19.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-135.53	kJ/mol	Joback Calculated Property
ΔfusH°	13.79	kJ/mol	Joback Calculated Property
ΔvapH°	35.63	kJ/mol	Joback Calculated Property
IE	9.65	eV	NIST
log10WS	-1.47		Crippen 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
I	[1178.00; 1248.00]
I	1212.00		NIST
I	1207.00		NIST
I	1225.00		NIST
I	Outlier 1248.00		NIST
I	1220.00		NIST
I	1216.00		NIST
I	1216.00		NIST
I	1209.00		NIST
I	1207.00		NIST
I	Outlier 1178.00		NIST
I	1226.00		NIST
I	1207.00		NIST
I	1201.00		NIST
I	1196.00		NIST
I	1230.00		NIST
I	1213.00		NIST
I	1230.00		NIST
I	1193.00		NIST
I	1216.00		NIST
I	1213.00		NIST
Tboil	389.50	K	Joback Calculated Property
Tc	570.95	K	Joback Calculated Property
Tfus	194.30	K	Joback Calculated Property
Vc	0.368	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[164.69; 215.09]	J/mol×K	[389.50; 570.95]
Cp,gas	164.69	J/mol×K	389.50	Joback Calculated Property
Cp,gas	174.16	J/mol×K	419.74	Joback Calculated Property
Cp,gas	183.18	J/mol×K	449.98	Joback Calculated Property
Cp,gas	191.76	J/mol×K	480.23	Joback Calculated Property
Cp,gas	199.93	J/mol×K	510.47	Joback Calculated Property
Cp,gas	207.70	J/mol×K	540.71	Joback Calculated Property
Cp,gas	215.09	J/mol×K	570.95	Joback Calculated Property
η	[0.0002617; 0.0038680]	Pa×s	[194.30; 389.50]
η	0.0038680	Pa×s	194.30	Joback Calculated Property
η	0.0017894	Pa×s	226.83	Joback Calculated Property
η	0.0010044	Pa×s	259.37	Joback Calculated Property
η	0.0006413	Pa×s	291.90	Joback Calculated Property
η	0.0004480	Pa×s	324.43	Joback Calculated Property
η	0.0003341	Pa×s	356.97	Joback Calculated Property
η	0.0002617	Pa×s	389.50	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.68]	kPa	[312.72; 428.75]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.