Chemical Properties of 4-Pentenal, 2-methyl- (CAS 5187-71-3)

InChI

InChI=1S/C6H10O/c1-3-4-6(2)5-7/h3,5-6H,1,4H2,2H3

InChI Key

RCQKLWAPRHHRNN-UHFFFAOYSA-N

Formula

C6H10O

SMILES

C=CCC(C)C=O

Molecular Weight¹

98.14

CAS

5187-71-3

Other Names

• 2-Methyl-4-pentenal

• 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).
• 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°	-14.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-132.60	kJ/mol	Joback Calculated Property
ΔfusH°	8.78	kJ/mol	Joback Calculated Property
ΔvapH°	34.61	kJ/mol	Joback Calculated Property
log10WS	-1.23		Crippen Calculated Property
logPoct/wat	1.397		Crippen Calculated Property
McVol	92.670	ml/mol	McGowan Calculated Property
Pc	3585.64	kPa	Joback Calculated Property
Inp	[776.30; 798.00]
Inp	798.00		NIST
Inp	776.30		NIST
Inp	776.30		NIST
Inp	798.00		NIST
I	[1141.00; 1141.00]
I	1141.00		NIST
I	1141.00		NIST
I	1141.00		NIST
I	1141.00		NIST
Tboil	381.58	K	Joback Calculated Property
Tc	561.84	K	Joback Calculated Property
Tfus	182.62	K	Joback Calculated Property
Vc	0.363	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[165.34; 216.06]	J/mol×K	[381.58; 561.84]
Cp,gas	165.34	J/mol×K	381.58	Joback Calculated Property
Cp,gas	174.78	J/mol×K	411.62	Joback Calculated Property
Cp,gas	183.82	J/mol×K	441.67	Joback Calculated Property
Cp,gas	192.45	J/mol×K	471.71	Joback Calculated Property
Cp,gas	200.69	J/mol×K	501.75	Joback Calculated Property
Cp,gas	208.56	J/mol×K	531.79	Joback Calculated Property
Cp,gas	216.06	J/mol×K	561.84	Joback Calculated Property
η	[0.0002995; 0.0058466]	Pa×s	[182.62; 381.58]
η	0.0058466	Pa×s	182.62	Joback Calculated Property
η	0.0024354	Pa×s	215.78	Joback Calculated Property
η	0.0012811	Pa×s	248.94	Joback Calculated Property
η	0.0007837	Pa×s	282.10	Joback Calculated Property
η	0.0005317	Pa×s	315.26	Joback Calculated Property
η	0.0003883	Pa×s	348.42	Joback Calculated Property
η	0.0002995	Pa×s	381.58	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[305.00; 431.37]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52454e+01
Coefficient B			-3.73749e+03
Coefficient C			-5.51300e+01
Temperature range, min.			305.00
Temperature range, max.			431.37
Pvap	1.33	kPa	305.00	Calculated Property
Pvap	2.95	kPa	319.04	Calculated Property
Pvap	6.04	kPa	333.08	Calculated Property
Pvap	11.54	kPa	347.12	Calculated Property
Pvap	20.75	kPa	361.16	Calculated Property
Pvap	35.46	kPa	375.21	Calculated Property
Pvap	57.93	kPa	389.25	Calculated Property
Pvap	90.95	kPa	403.29	Calculated Property
Pvap	137.89	kPa	417.33	Calculated Property
Pvap	202.66	kPa	431.37	Calculated Property

Similar Compounds

Find more compounds similar to 4-Pentenal, 2-methyl-.

Sources

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

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