Chemical Properties of 2-Hexene, 4-methyl-, (E)- (CAS 3683-22-5)

InChI

InChI=1S/C7H14/c1-4-6-7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+

InChI Key

MBNDKEPQUVZHCM-GQCTYLIASA-N

Formula

C7H14

SMILES

CC=CC(C)CC

Molecular Weight¹

98.19

CAS

3683-22-5

Other Names

• (E)-4-METHYL-2-HEXENE
• (E)-C2H5CH(CH3)CH=CHCH3
• 4-METHYL-TRANS-2-HEXENE
• 4-Methyl-2-hexene (trans)
• TRANS-4-METHYL-2-HEXENE

• 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).
• 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).
• I_np : Non-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°	85.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-75.87	kJ/mol	Joback Calculated Property
ΔfusH°	10.56	kJ/mol	Joback Calculated Property
ΔvapH°	[34.70; 34.70]	kJ/mol
ΔvapH°	34.70	kJ/mol	NIST
ΔvapH°	34.70	kJ/mol	NIST
IE	8.91 ± 0.01	eV	NIST
log10WS	-2.36		Crippen Calculated Property
logPoct/wat	2.609		Crippen Calculated Property
McVol	105.190	ml/mol	McGowan Calculated Property
Pc	2986.06	kPa	Joback Calculated Property
Inp	[654.00; 667.60]
Inp	665.80		NIST
Inp	655.40		NIST
Inp	665.00		NIST
Inp	665.00		NIST
Inp	666.00		NIST
Inp	665.00		NIST
Inp	665.60		NIST
Inp	655.10		NIST
Inp	657.00		NIST
Inp	656.10		NIST
Inp	657.60		NIST
Inp	666.00		NIST
Inp	666.00		NIST
Inp	657.40		NIST
Inp	657.50		NIST
Inp	657.00		NIST
Inp	659.20		NIST
Inp	662.00		NIST
Inp	662.00		NIST
Inp	657.00		NIST
Inp	657.00		NIST
Inp	657.00		NIST
Inp	657.00		NIST
Inp	657.00		NIST
Inp	657.00		NIST
Inp	659.00		NIST
Inp	656.00		NIST
Inp	657.00		NIST
Inp	658.00		NIST
Inp	659.00		NIST
Inp	658.00		NIST
Inp	658.00		NIST
Inp	659.00		NIST
Inp	666.20		NIST
Inp	667.60		NIST
Inp	659.00		NIST
Inp	656.10		NIST
Inp	654.00		NIST
Inp	666.00		NIST
Inp	657.00		NIST
Inp	664.00		NIST
Inp	661.00		NIST
Inp	666.00		NIST
Inp	667.00		NIST
Inp	666.00		NIST
Inp	665.80		NIST
Inp	665.00		NIST
Inp	657.60		NIST
Inp	657.00		NIST
Inp	659.00		NIST
Inp	658.00		NIST
Inp	656.10		NIST
Inp	667.60		NIST
Inp	666.20		NIST
Inp	667.00		NIST
Tboil	[360.50; 360.85]	K
Tboil	360.80	K	NIST
Tboil	360.79 ± 0.20	K	NIST
Tboil	360.71 ± 0.30	K	NIST
Tboil	360.73 ± 0.30	K	NIST
Tboil	360.85 ± 0.30	K	NIST
Tboil	360.50 ± 1.00	K	NIST
Tboil	360.50 ± 1.00	K	NIST
Tc	539.72	K	Joback Calculated Property
Tfus	[145.41; 147.46]	K
Tfus	147.41 ± 0.06	K	NIST
Tfus	147.42 ± 0.04	K	NIST
Tfus	147.46 ± 0.02	K	NIST
Tfus	Outlier 145.41 ± 0.10	K	NIST
Tfus	147.42 ± 0.08	K	NIST
Tfus	147.46 ± 0.03	K	NIST
Vc	0.402	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[180.16; 245.01]	J/mol×K	[363.28; 539.72]
Cp,gas	180.16	J/mol×K	363.28	Joback Calculated Property
Cp,gas	192.22	J/mol×K	392.69	Joback Calculated Property
Cp,gas	203.76	J/mol×K	422.09	Joback Calculated Property
Cp,gas	214.79	J/mol×K	451.50	Joback Calculated Property
Cp,gas	225.33	J/mol×K	480.91	Joback Calculated Property
Cp,gas	235.39	J/mol×K	510.31	Joback Calculated Property
Cp,gas	245.01	J/mol×K	539.72	Joback Calculated Property
η	[0.0001915; 0.0095853]	Pa×s	[148.57; 363.28]
η	0.0095853	Pa×s	148.57	Joback Calculated Property
η	0.0026515	Pa×s	184.35	Joback Calculated Property
η	0.0011138	Pa×s	220.14	Joback Calculated Property
η	0.0005963	Pa×s	255.92	Joback Calculated Property
η	0.0003722	Pa×s	291.71	Joback Calculated Property
η	0.0002575	Pa×s	327.50	Joback Calculated Property
η	0.0001915	Pa×s	363.28	Joback Calculated Property
ΔvapH	[33.60; 33.60]	kJ/mol	[349.50; 350.50]
ΔvapH	33.60	kJ/mol	349.50	NIST
ΔvapH	33.60	kJ/mol	350.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[262.92; 385.45]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39671e+01
Coefficient B			-2.88784e+03
Coefficient C			-5.18100e+01
Temperature range, min.			262.92
Temperature range, max.			385.45
Pvap	1.33	kPa	262.92	Calculated Property
Pvap	3.05	kPa	276.53	Calculated Property
Pvap	6.36	kPa	290.15	Calculated Property
Pvap	12.25	kPa	303.76	Calculated Property
Pvap	22.04	kPa	317.38	Calculated Property
Pvap	37.46	kPa	330.99	Calculated Property
Pvap	60.59	kPa	344.61	Calculated Property
Pvap	93.91	kPa	358.22	Calculated Property
Pvap	140.23	kPa	371.84	Calculated Property
Pvap	202.66	kPa	385.45	Calculated Property

Similar Compounds

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

Sources

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

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