Chemical Properties of 2-Pentene, 3-methyl-, (E)- (CAS 616-12-6)

InChI

InChI=1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3/b6-4+

InChI Key

BEQGRRJLJLVQAQ-GQCTYLIASA-N

Formula

C6H12

SMILES

C/C=C(\C)CC

Molecular Weight¹

84.16

CAS

616-12-6

Other Names

• (E)-3-methyl-2-pentene
• (E)-3-methylpent-2-ene
• (E)-CH3CH=C(CH3)C2H5
• 3-methyl-trans-2-pentene
• trans-3-methyl-2-pentene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_c,grossH : Heat of Combustion, Gross form (kJ/mol).
• Δ_c,netH : Heat of Combustion, Net Form (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• γ : Surface Tension (N/m).
• 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2070		KDB
ΔfG°	71.34	kJ/mol	KDB
Δc,grossH	3981.54	kJ/mol	KDB
Δc,netH	3717.442	kJ/mol	KDB
ΔfH°gas	[-63.51; -63.14]	kJ/mol
ΔfH°gas	-63.14	kJ/mol	KDB
ΔfH°gas	-63.51 ± 0.88	kJ/mol	NIST
ΔfH°liquid	-94.93 ± 0.84	kJ/mol	NIST
ΔfusH°	10.19	kJ/mol	Joback Calculated Property
ΔvapH°	[30.00; 32.10]	kJ/mol
ΔvapH°	32.10	kJ/mol	NIST
ΔvapH°	31.30	kJ/mol	NIST
ΔvapH°	30.00	kJ/mol	NIST
ΔvapH°	31.30	kJ/mol	NIST
IE	8.63	eV	Relay (1.0) Calculated Property
logPoct/wat	2.363		Crippen Calculated Property
McVol	91.100	ml/mol	McGowan Calculated Property
Pc	3290.00	kPa	KDB
Inp	[597.00; 627.00]
Inp	620.20		NIST
Inp	612.20		NIST
Inp	620.00		NIST
Inp	620.00		NIST
Inp	620.60		NIST
Inp	620.90		NIST
Inp	613.10		NIST
Inp	613.30		NIST
Inp	620.00		NIST
Inp	620.00		NIST
Inp	619.00		NIST
Inp	620.00		NIST
Inp	619.00		NIST
Inp	620.00		NIST
Inp	620.00		NIST
Inp	620.00		NIST
Inp	625.00		NIST
Inp	625.00		NIST
Inp	625.00		NIST
Inp	625.00		NIST
Inp	625.00		NIST
Inp	625.00		NIST
Inp	620.00		NIST
Inp	620.80		NIST
Inp	621.00		NIST
Inp	621.20		NIST
Inp	621.50		NIST
Inp	621.70		NIST
Inp	622.00		NIST
Inp	622.50		NIST
Inp	622.00		NIST
Inp	621.20		NIST
Inp	620.40		NIST
Inp	619.60		NIST
Inp	619.00		NIST
Inp	623.00		NIST
Inp	612.30		NIST
Inp	612.80		NIST
Inp	612.46		NIST
Inp	613.00		NIST
Inp	610.50		NIST
Inp	613.00		NIST
Inp	613.00		NIST
Inp	612.00		NIST
Inp	613.00		NIST
Inp	613.00		NIST
Inp	614.00		NIST
Inp	614.00		NIST
Inp	Outlier 603.00		NIST
Inp	612.00		NIST
Inp	Outlier 597.00		NIST
Inp	622.20		NIST
Inp	622.00		NIST
Inp	620.80		NIST
Inp	615.32		NIST
Inp	615.42		NIST
Inp	615.00		NIST
Inp	620.00		NIST
Inp	619.20		NIST
Inp	619.70		NIST
Inp	Outlier 603.75		NIST
Inp	612.50		NIST
Inp	611.00		NIST
Inp	Outlier 603.00		NIST
Inp	608.00		NIST
Inp	612.00		NIST
Inp	617.00		NIST
Inp	618.00		NIST
Inp	617.00		NIST
Inp	608.00		NIST
Inp	620.00		NIST
Inp	613.00		NIST
Inp	618.00		NIST
Inp	618.00		NIST
Inp	620.00		NIST
Inp	620.00		NIST
Inp	623.00		NIST
Inp	624.00		NIST
Inp	613.00		NIST
Inp	627.00		NIST
Inp	619.00		NIST
Inp	622.20		NIST
Inp	612.50		NIST
I	[650.00; 662.00]
I	662.00		NIST
I	650.00		NIST
Tboil	[340.15; 343.79]	K
Tboil	343.60	K	KDB
Tboil	343.60	K	NIST
Tboil	343.59 ± 0.10	K	NIST
Tboil	343.50 ± 0.50	K	NIST
Tboil	343.75 ± 0.50	K	NIST
Tboil	343.59 ± 0.30	K	NIST
Tboil	343.79 ± 0.50	K	NIST
Tboil	343.65 ± 0.50	K	NIST
Tboil	343.65 ± 0.20	K	NIST
Tboil	Outlier 340.15 ± 2.00	K	NIST
Tboil	343.20 ± 1.00	K	NIST
Tboil	341.05 ± 1.50	K	NIST
Tc	521.00	K	KDB
Tfus	[134.65; 134.70]	K
Tfus	134.70	K	KDB
Tfus	134.69 ± 0.50	K	NIST
Tfus	134.65 ± 0.20	K	NIST
Vc	0.350	m3/kmol	KDB
Zc	0.2658210		KDB

Cheméo can also estimate Log10 of Water solubility in mol/l 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[145.07; 201.67]	J/mol×K	[340.72; 516.68]
Cp,gas	145.07	J/mol×K	340.72	Joback Calculated Property
Cp,gas	155.60	J/mol×K	370.05	Joback Calculated Property
Cp,gas	165.66	J/mol×K	399.37	Joback Calculated Property
Cp,gas	175.29	J/mol×K	428.70	Joback Calculated Property
Cp,gas	184.49	J/mol×K	458.03	Joback Calculated Property
Cp,gas	193.27	J/mol×K	487.36	Joback Calculated Property
Cp,gas	201.67	J/mol×K	516.68	Joback Calculated Property
ΔvapH	[29.29; 32.80]	kJ/mol	[314.50; 343.60]
ΔvapH	32.80	kJ/mol	314.50	NIST
ΔvapH	29.29	kJ/mol	343.60	KDB
n0	1.40166		298.15	KDB
ρl	698.00	kg/m3	293.00	KDB
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[249.84; 367.32]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39511e+01
Coefficient B			-2.76043e+03
Coefficient C			-4.78120e+01
Temperature range, min.			249.84
Temperature range, max.			367.32
Pvap	1.33	kPa	249.84	Calculated Property
Pvap	3.05	kPa	262.89	Calculated Property
Pvap	6.37	kPa	275.95	Calculated Property
Pvap	12.26	kPa	289.00	Calculated Property
Pvap	22.06	kPa	302.05	Calculated Property
Pvap	37.48	kPa	315.11	Calculated Property
Pvap	60.62	kPa	328.16	Calculated Property
Pvap	93.95	kPa	341.21	Calculated Property
Pvap	140.26	kPa	354.27	Calculated Property
Pvap	202.65	kPa	367.32	Calculated Property
Pvap	[1.32; 3330.12]	kPa	[250.00; 521.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.10543e+02
Coefficient B			-7.59988e+03
Coefficient C			-1.46143e+01
Coefficient D			1.31810e-05
Temperature range, min.			250.00
Temperature range, max.			521.00
Pvap	1.32	kPa	250.00	Calculated Property
Pvap	8.10	kPa	280.11	Calculated Property
Pvap	32.05	kPa	310.22	Calculated Property
Pvap	93.61	kPa	340.33	Calculated Property
Pvap	220.83	kPa	370.44	Calculated Property
Pvap	447.44	kPa	400.56	Calculated Property
Pvap	813.01	kPa	430.67	Calculated Property
Pvap	1366.60	kPa	460.78	Calculated Property
Pvap	2174.16	kPa	490.89	Calculated Property
Pvap	3330.12	kPa	521.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentene, 3-methyl-, (E)-.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Measurements of activity coefficients at infinite dilution for organic solutes in two quaternary ammonium-based ionic liquids [DDA][ClO4] and [DDA][BF4]
• Joback Method
• KDB
• 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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