Chemical Properties of 3-Hexene, 2,4-dimethyl-, (E)- (CAS 61847-78-7)

InChI

InChI=1S/C8H16/c1-5-8(4)6-7(2)3/h6-7H,5H2,1-4H3/b8-6+

InChI Key

VFCHHMABGOYOQI-SOFGYWHQSA-N

Formula

C8H16

SMILES

CCC(C)=CC(C)C

Molecular Weight¹

112.21

CAS

61847-78-7

Other Names

• (E)-2,4-Dimethylhex-3-ene
• trans 2,4-dimethyl-3-hexene

• ω : Acentric Factor.
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical 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
ω	0.2928		Relay (1.0) Calculated Property
ΔfG°	85.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-114.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.84	kJ/mol	Joback Calculated Property
ΔvapH°	38.50	kJ/mol	NIST
IE	8.48	eV	Relay (1.0) Calculated Property
logPoct/wat	2.999		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Pc	2709.85	kPa	Joback Calculated Property
Inp	[725.50; 740.00]
Inp	739.60		NIST
Inp	727.90		NIST
Inp	725.50		NIST
Inp	729.00		NIST
Inp	731.60		NIST
Inp	731.60		NIST
Inp	728.00		NIST
Inp	730.00		NIST
Inp	730.00		NIST
Inp	740.00		NIST
Inp	740.00		NIST
Inp	739.60		NIST
Inp	731.60		NIST
Tboil	380.80 ± 0.60	K	NIST
Tc	547.13	K	Relay (1.0) Calculated Property
Tfus	155.92	K	Relay (1.0) Calculated Property
Vc	0.454	m3/kmol	Relay (1.0) Calculated Property

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[161.03; 401.74]	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			-1.99390e+01
Coefficient B			7.89680e-01
Coefficient C			-5.00700e-04
Coefficient D			1.32700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	161.03	J/mol×K	273.00	Calculated Property
Cp,gas	202.64	J/mol×K	353.78	Calculated Property
Cp,gas	239.56	J/mol×K	434.56	Calculated Property
Cp,gas	272.20	J/mol×K	515.33	Calculated Property
Cp,gas	300.98	J/mol×K	596.11	Calculated Property
Cp,gas	326.33	J/mol×K	676.89	Calculated Property
Cp,gas	348.66	J/mol×K	757.67	Calculated Property
Cp,gas	368.39	J/mol×K	838.44	Calculated Property
Cp,gas	385.95	J/mol×K	919.22	Calculated Property
Cp,gas	401.74	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-Hexene, 2,4-dimethyl-, (E)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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