Chemical Properties of 2-Pentenal, 2-methyl- (CAS 623-36-9)

InChI

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

InChI Key

IDEYZABHVQLHAF-UHFFFAOYSA-N

Formula

C6H10O

SMILES

CCC=C(C)C=O

Molecular Weight¹

98.14

CAS

623-36-9

Other Names

• 2-Methyl-2-penten-1-al
• 2-Methyl-2-pentenal
• 2-Methyl-2-pentene-1-al
• 2-Methyl-2-pentenoic aldehyde
• 2-Methyl-3-ethylacrolein
• 2-Methylpent-2-enal
• CH3CH2CH=C(CH3)CHO
• NSC 9464
• «alpha»-Methyl-«beta»-ethylacrolein
• «beta»-Ethyl-«alpha»-methylacrolein
• «alpha»-Methyl-«beta»-ethylacrolein
• «beta»-Ethyl-«alpha»-methylacrolein

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_boilr : Boiling point at reduced pressure (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	0.3172		Relay (1.0) Calculated Property
ΔcH°liquid	-3783.00	kJ/mol	NIST
ΔfG°	-28.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-155.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.48	kJ/mol	Joback Calculated Property
ΔvapH°	39.00	kJ/mol	Relay (1.0) Calculated Property
IE	9.54	eV	NIST
log10WS	-1.09		Relay (1.0) Calculated Property
logPoct/wat	1.542		Crippen Calculated Property
McVol	92.670	ml/mol	McGowan Calculated Property
Pc	3615.89	kPa	Joback Calculated Property
Inp	[804.00; 853.00]
Inp	852.00		NIST
Inp	809.00		NIST
Inp	810.00		NIST
Inp	811.00		NIST
Inp	811.00		NIST
Inp	829.70		NIST
Inp	834.00		NIST
Inp	853.00		NIST
Inp	839.00		NIST
Inp	808.00		NIST
Inp	808.00		NIST
Inp	804.00		NIST
Inp	850.00		NIST
Inp	850.00		NIST
Inp	813.00		NIST
Inp	813.00		NIST
Inp	826.00		NIST
Inp	828.00		NIST
Inp	810.00		NIST
Inp	812.00		NIST
Inp	808.00		NIST
Inp	829.70		NIST
Inp	852.00		NIST
Inp	826.00		NIST
I	[1130.00; 1190.00]
I	1149.00		NIST
I	1185.00		NIST
I	1171.00		NIST
I	1151.00		NIST
I	1151.00		NIST
I	Outlier 1190.00		NIST
I	1150.00		NIST
I	1177.00		NIST
I	1167.00		NIST
I	1160.00		NIST
I	1155.00		NIST
I	1167.00		NIST
I	1142.00		NIST
I	1155.00		NIST
I	1155.00		NIST
I	1151.00		NIST
I	1130.00		NIST
I	1130.00		NIST
I	1157.00		NIST
I	1172.00		NIST
I	1149.00		NIST
I	1155.00		NIST
I	1157.00		NIST
I	1149.00		NIST
Tboil	409.15 ± 2.00	K	NIST
Tc	605.86	K	Relay (1.0) Calculated Property
Tfus	178.60 ± 0.60	K	NIST
Vc	0.335	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[164.68; 215.78]	J/mol×K	[389.38; 574.52]
Cp,gas	164.68	J/mol×K	389.38	Joback Calculated Property
Cp,gas	174.31	J/mol×K	420.24	Joback Calculated Property
Cp,gas	183.47	J/mol×K	451.09	Joback Calculated Property
Cp,gas	192.18	J/mol×K	481.95	Joback Calculated Property
Cp,gas	200.45	J/mol×K	512.80	Joback Calculated Property
Cp,gas	208.31	J/mol×K	543.66	Joback Calculated Property
Cp,gas	215.78	J/mol×K	574.52	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[305.12; 434.41]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50236e+01
Coefficient B			-3.68324e+03
Coefficient C			-5.51720e+01
Temperature range, min.			305.12
Temperature range, max.			434.41
Pvap	1.33	kPa	305.12	Calculated Property
Pvap	2.97	kPa	319.49	Calculated Property
Pvap	6.09	kPa	333.85	Calculated Property
Pvap	11.64	kPa	348.22	Calculated Property
Pvap	20.95	kPa	362.58	Calculated Property
Pvap	35.77	kPa	376.95	Calculated Property
Pvap	58.33	kPa	391.31	Calculated Property
Pvap	91.40	kPa	405.68	Calculated Property
Pvap	138.24	kPa	420.04	Calculated Property
Pvap	202.63	kPa	434.41	Calculated Property

Similar Compounds

Find more compounds similar to 2-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.
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