Chemical Properties of 4-Methyl-2-pentenal (CAS 5362-56-1)

InChI

InChI=1S/C6H10O/c1-6(2)4-3-5-7/h3-6H,1-2H3/b4-3+

InChI Key

RIWPMNBTULNXOH-ONEGZZNKSA-N

Formula

C6H10O

SMILES

CC(C)C=CC=O

Molecular Weight¹

98.14

CAS

5362-56-1

• 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 : 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	0.3332		Relay (1.0) Calculated Property
ΔfG°	-22.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-166.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.26	kJ/mol	Joback Calculated Property
ΔvapH°	40.69	kJ/mol	Relay (1.0) Calculated Property
IE	9.70	eV	Relay (1.0) Calculated Property
log10WS	-1.13		Relay (1.0) Calculated Property
logPoct/wat	1.397		Crippen Calculated Property
McVol	92.670	ml/mol	McGowan Calculated Property
Pc	3628.97	kPa	Joback Calculated Property
I	[1095.00; 1095.00]
I	1095.00		NIST
I	1095.00		NIST
Tboil	388.15	K	Relay (1.0) Calculated Property
Tc	575.09	K	Relay (1.0) Calculated Property
Tfus	203.11	K	Relay (1.0) Calculated Property
Vc	0.333	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[164.65; 216.59]	J/mol×K	[389.06; 574.87]
Cp,gas	164.65	J/mol×K	389.06	Joback Calculated Property
Cp,gas	174.45	J/mol×K	420.03	Joback Calculated Property
Cp,gas	183.76	J/mol×K	451.00	Joback Calculated Property
Cp,gas	192.61	J/mol×K	481.96	Joback Calculated Property
Cp,gas	201.02	J/mol×K	512.93	Joback Calculated Property
Cp,gas	209.01	J/mol×K	543.90	Joback Calculated Property
Cp,gas	216.59	J/mol×K	574.87	Joback Calculated Property
η	[0.0002530; 0.0065488]	Pa×s	[179.30; 389.06]
η	0.0065488	Pa×s	179.30	Joback Calculated Property
η	0.0024463	Pa×s	214.26	Joback Calculated Property
η	0.0012046	Pa×s	249.22	Joback Calculated Property
η	0.0007061	Pa×s	284.18	Joback Calculated Property
η	0.0004653	Pa×s	319.14	Joback Calculated Property
η	0.0003329	Pa×s	354.10	Joback Calculated Property
η	0.0002530	Pa×s	389.06	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[297.92; 433.92]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43708e+01
Coefficient B			-3.45391e+03
Coefficient C			-5.26700e+01
Temperature range, min.			297.92
Temperature range, max.			433.92
Pvap	1.33	kPa	297.92	Calculated Property
Pvap	3.02	kPa	313.03	Calculated Property
Pvap	6.25	kPa	328.14	Calculated Property
Pvap	12.00	kPa	343.25	Calculated Property
Pvap	21.59	kPa	358.36	Calculated Property
Pvap	36.76	kPa	373.48	Calculated Property
Pvap	59.67	kPa	388.59	Calculated Property
Pvap	92.89	kPa	403.70	Calculated Property
Pvap	139.42	kPa	418.81	Calculated Property
Pvap	202.63	kPa	433.92	Calculated Property

Similar Compounds

Find more compounds similar to 4-Methyl-2-pentenal.

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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