Chemical Properties of (Z)-2-Hexenal

InChI

InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4-

InChI Key

MBDOYVRWFFCFHM-PLNGDYQASA-N

Formula

C6H10O

SMILES

CCCC=CC=O

Molecular Weight¹

98.14

Other Names

• (Z)-Hex-2-enal
• cis-2-hexenal
• (Z)-hex-2-en-1-al

• 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	0.3484		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	9.67	eV	Relay (1.0) Calculated Property
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	[804.00; 860.00]
Inp	850.00		NIST
Inp	854.00		NIST
Inp	820.00		NIST
Inp	841.00		NIST
Inp	841.00		NIST
Inp	804.00		NIST
Inp	855.00		NIST
Inp	848.00		NIST
Inp	855.00		NIST
Inp	855.00		NIST
Inp	860.00		NIST
Inp	809.00		NIST
Inp	813.00		NIST
Inp	825.00		NIST
Inp	813.00		NIST
Ip	[1184.00; 1236.00]
Ip	1232.00		NIST
Ip	1205.00		NIST
Ip	1189.00		NIST
Ip	1185.00		NIST
Ip	1232.00		NIST
Ip	1193.00		NIST
Ip	1189.00		NIST
Ip	1204.00		NIST
Ip	1196.00		NIST
Ip	1205.00		NIST
Ip	1200.00		NIST
Ip	1207.00		NIST
Ip	1218.00		NIST
Ip	1184.00		NIST
Ip	1203.00		NIST
Ip	1209.00		NIST
Ip	1193.00		NIST
Ip	1196.00		NIST
Ip	1207.00		NIST
Ip	1193.00		NIST
Ip	1203.00		NIST
Ip	Outlier 1236.00		NIST
Ip	Outlier 1236.00		NIST
Ip	1192.00		NIST
Ip	1194.00		NIST
Ip	1196.00		NIST
Ip	Outlier 1236.00		NIST
Ip	1193.00		NIST
Ip	1205.00		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

Similar Compounds

Find more compounds similar to (Z)-2-Hexenal.

Sources

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

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