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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.3116		Relay (1.0) Calculated Property
ΔfH°gas	-150.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.78	kJ/mol	Joback Calculated Property
ΔvapH°	39.65	kJ/mol	Relay (1.0) Calculated Property
IE	9.36	eV	Relay (1.0) Calculated Property
log10WS	-0.82		Relay (1.0) 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
Ip	[1141.00; 1141.00]
Ip	1141.00		NIST
Ip	1141.00		NIST
Ip	1141.00		NIST
Ip	1141.00		NIST
Tboil	375.60	K	Relay (1.0) Calculated Property
Tc	567.85	K	Relay (1.0) Calculated Property
Tfus	174.88	K	Relay (1.0) Calculated Property
Vc	0.334	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[127.55; 291.68]	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			4.16100e+00
Coefficient B			5.34220e-01
Coefficient C			-3.21700e-04
Coefficient D			7.50000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	127.55	J/mol×K	273.00	Calculated Property
Cp,gas	156.21	J/mol×K	353.78	Calculated Property
Cp,gas	181.71	J/mol×K	434.56	Calculated Property
Cp,gas	204.29	J/mol×K	515.33	Calculated Property
Cp,gas	224.19	J/mol×K	596.11	Calculated Property
Cp,gas	241.63	J/mol×K	676.89	Calculated Property
Cp,gas	256.87	J/mol×K	757.67	Calculated Property
Cp,gas	270.13	J/mol×K	838.44	Calculated Property
Cp,gas	281.65	J/mol×K	919.22	Calculated Property
Cp,gas	291.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0058466; 0.0002758]	Pa×s	[182.62; 393.49]	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			-1.08406e+01
Coefficient B			1.04069e+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.			182.62
Temperature range, max.			393.49
η	0.0058466	Pa×s	182.62	Calculated Property
η	0.0030583	Pa×s	206.05	Calculated Property
η	0.0018261	Pa×s	229.48	Calculated Property
η	0.0011997	Pa×s	252.91	Calculated Property
η	0.0008463	Pa×s	276.34	Calculated Property
η	0.0006305	Pa×s	299.77	Calculated Property
η	0.0004902	Pa×s	323.20	Calculated Property
η	0.0003944	Pa×s	346.63	Calculated Property
η	0.0003261	Pa×s	370.06	Calculated Property
η	0.0002758	Pa×s	393.49	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[305.00; 431.37]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.