Chemical Properties of 2-Pentene, 4-methyl-, (E)- (CAS 674-76-0)

InChI

InChI=1S/C6H12/c1-4-5-6(2)3/h4-6H,1-3H3/b5-4+

InChI Key

LGAQJENWWYGFSN-SNAWJCMRSA-N

Formula

C6H12

SMILES

CC=CC(C)C

Molecular Weight¹

84.16

CAS

674-76-0

Other Names

• (E)-(CH3)2CHCH=CHCH3
• (E)-4-METHYL-2-PENTENE
• (E)-4-methylpent-2-ene
• 4-METHYL-TRANS-2-PENTENE
• 4-Methyl-2-pentene, (E)-
• 4-Methyl-2-pentene, trans-
• 4-Methylpentene-2, trans-
• TRANS-4-METHYL-2-PENTENE

• 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_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_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).
• 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).
• 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	0.2900		KDB
ΔfG°	79.67	kJ/mol	KDB
Δc,grossH	3984.59	kJ/mol	KDB
Δc,netH	3720.496	kJ/mol	KDB
ΔfH°gas	-61.50	kJ/mol	KDB
ΔfusH°	7.98	kJ/mol	Joback Calculated Property
ΔvapH°	[30.00; 30.00]	kJ/mol
ΔvapH°	30.00	kJ/mol	NIST
ΔvapH°	30.00	kJ/mol	NIST
ΔvapH°	30.00	kJ/mol	NIST
IE	[8.91; 8.97]	eV
IE	8.97 ± 0.01	eV	NIST
IE	8.91	eV	NIST
IE	8.97 ± 0.01	eV	NIST
log10WS	-1.95		Crippen Calculated Property
logPoct/wat	2.219		Crippen Calculated Property
McVol	91.100	ml/mol	McGowan Calculated Property
Pc	3040.00	kPa	KDB
Inp	[547.00; 575.50]
Inp	570.40		NIST
Inp	561.90		NIST
Inp	569.00		NIST
Inp	569.00		NIST
Inp	569.00		NIST
Inp	561.70		NIST
Inp	569.10		NIST
Inp	568.80		NIST
Inp	562.10		NIST
Inp	561.90		NIST
Inp	570.00		NIST
Inp	570.00		NIST
Inp	563.00		NIST
Inp	563.00		NIST
Inp	561.90		NIST
Inp	562.00		NIST
Inp	562.00		NIST
Inp	565.80		NIST
Inp	562.00		NIST
Inp	562.00		NIST
Inp	561.80		NIST
Inp	567.00		NIST
Inp	557.00		NIST
Inp	565.00		NIST
Inp	562.00		NIST
Inp	562.00		NIST
Inp	563.00		NIST
Inp	563.00		NIST
Inp	570.00		NIST
Inp	558.00		NIST
Inp	559.00		NIST
Inp	557.00		NIST
Inp	575.50		NIST
Inp	575.00		NIST
Inp	568.70		NIST
Inp	562.00		NIST
Inp	561.70		NIST
Inp	562.00		NIST
Inp	563.00		NIST
Inp	572.00		NIST
Inp	571.00		NIST
Inp	572.00		NIST
Inp	571.00		NIST
Inp	Outlier 547.00		NIST
Inp	569.00		NIST
Inp	562.00		NIST
Inp	575.00		NIST
Inp	568.00		NIST
Inp	573.00		NIST
Inp	574.00		NIST
Inp	575.50		NIST
Inp	562.00		NIST
Inp	570.40		NIST
Inp	561.70		NIST
Inp	570.00		NIST
Inp	561.80		NIST
Inp	559.00		NIST
I	[590.00; 592.00]
I	592.00		NIST
I	590.00		NIST
I	592.00		NIST
Tboil	331.70	K	KDB
Tc	493.00	K	KDB
Tfus	132.00	K	KDB
Vc	0.360	m3/kmol	KDB
Zc	0.2669880		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[144.81; 202.31]	J/mol×K	[340.40; 517.01]
Cp,gas	144.81	J/mol×K	340.40	Joback Calculated Property
Cp,gas	155.51	J/mol×K	369.83	Joback Calculated Property
Cp,gas	165.74	J/mol×K	399.27	Joback Calculated Property
Cp,gas	175.52	J/mol×K	428.70	Joback Calculated Property
Cp,gas	184.87	J/mol×K	458.14	Joback Calculated Property
Cp,gas	193.79	J/mol×K	487.57	Joback Calculated Property
Cp,gas	202.31	J/mol×K	517.01	Joback Calculated Property
η	[0.0001822; 0.0086948]	Pa×s	[137.30; 340.40]
η	0.0086948	Pa×s	137.30	Joback Calculated Property
η	0.0024144	Pa×s	171.15	Joback Calculated Property
η	0.0010236	Pa×s	205.00	Joback Calculated Property
η	0.0005535	Pa×s	238.85	Joback Calculated Property
η	0.0003486	Pa×s	272.70	Joback Calculated Property
η	0.0002432	Pa×s	306.55	Joback Calculated Property
η	0.0001822	Pa×s	340.40	Joback Calculated Property
ΔvapH	[27.95; 31.20]	kJ/mol	[303.00; 331.70]
ΔvapH	31.20	kJ/mol	303.00	NIST
ΔvapH	27.95	kJ/mol	331.70	KDB
n0	1.38583		298.15	KDB
ρl	669.00	kg/m3	293.00	KDB
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[238.98; 355.05]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41425e+01
Coefficient B			-2.82675e+03
Coefficient C			-3.49530e+01
Temperature range, min.			238.98
Temperature range, max.			355.05
Pvap	1.33	kPa	238.98	Calculated Property
Pvap	3.04	kPa	251.88	Calculated Property
Pvap	6.31	kPa	264.77	Calculated Property
Pvap	12.14	kPa	277.67	Calculated Property
Pvap	21.84	kPa	290.57	Calculated Property
Pvap	37.15	kPa	303.46	Calculated Property
Pvap	60.19	kPa	316.36	Calculated Property
Pvap	93.47	kPa	329.26	Calculated Property
Pvap	139.89	kPa	342.15	Calculated Property
Pvap	202.67	kPa	355.05	Calculated Property
Pvap	[3.45e-07; 3216.52]	kPa	[132.35; 501.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.48595e+01
Coefficient B			-5.97972e+03
Coefficient C			-9.14972e+00
Coefficient D			8.09678e-06
Temperature range, min.			132.35
Temperature range, max.			501.00
Pvap	3.45e-07	kPa	132.35	Calculated Property
Pvap	1.41e-03	kPa	173.31	Calculated Property
Pvap	0.17	kPa	214.27	Calculated Property
Pvap	3.49	kPa	255.23	Calculated Property
Pvap	27.39	kPa	296.19	Calculated Property
Pvap	120.04	kPa	337.16	Calculated Property
Pvap	364.02	kPa	378.12	Calculated Property
Pvap	868.05	kPa	419.08	Calculated Property
Pvap	1763.45	kPa	460.04	Calculated Property
Pvap	3216.52	kPa	501.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentene, 4-methyl-, (E)-.

Sources

• KDB Vapor Pressure Data
• 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

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