Chemical Properties of 3-Hexene, 3,4-dimethyl-, (Z)- (CAS 19550-87-9)

InChI

InChI=1S/C8H16/c1-5-7(3)8(4)6-2/h5-6H2,1-4H3/b8-7-

InChI Key

XTUXVDJHGIEBAA-FPLPWBNLSA-N

Formula

C8H16

SMILES

CCC(C)=C(C)CC

Molecular Weight¹

112.21

CAS

19550-87-9

Other Names

• (Z)-C2H5C(CH3)=C(CH3)C2H5
• cis-3,4-Dimethyl-3-hexene
• (3Z)-3,4-Dimethyl-3-hexene
• 2-Hexene, 3,4-dimethyl, cis
• (Z)-3,4-Dimethylhex-2-ene
• (Z)-3,4-Dimethylhex-3-ene

• 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).
• 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).
• 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	0.2873		Relay (1.0) Calculated Property
ΔfG°	79.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-125.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.06	kJ/mol	Joback Calculated Property
ΔvapH°	39.70	kJ/mol	NIST
IE	8.17 ± 0.00	eV	NIST
log10WS	-3.86		Relay (1.0) Calculated Property
logPoct/wat	3.143		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Pc	2701.41	kPa	Joback Calculated Property
Inp	[754.50; 795.70]
Inp	764.80		NIST
Inp	795.70		NIST
Inp	754.50		NIST
Inp	781.80		NIST
Inp	757.00		NIST
Inp	783.00		NIST
Inp	782.00		NIST
Inp	784.00		NIST
Inp	785.00		NIST
Inp	786.00		NIST
Inp	764.80		NIST
Inp	783.00		NIST
Tboil	392.83	K	Relay (1.0) Calculated Property
Tc	573.95	K	Relay (1.0) Calculated Property
Tfus	190.72	K	Relay (1.0) Calculated Property
Vc	0.446	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[161.49; 400.93]	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			-1.79480e+01
Coefficient B			7.83680e-01
Coefficient C			-4.99800e-04
Coefficient D			1.35000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	161.49	J/mol×K	273.00	Calculated Property
Cp,gas	202.72	J/mol×K	353.78	Calculated Property
Cp,gas	239.30	J/mol×K	434.56	Calculated Property
Cp,gas	271.65	J/mol×K	515.33	Calculated Property
Cp,gas	300.21	J/mol×K	596.11	Calculated Property
Cp,gas	325.39	J/mol×K	676.89	Calculated Property
Cp,gas	347.62	J/mol×K	757.67	Calculated Property
Cp,gas	367.34	J/mol×K	838.44	Calculated Property
Cp,gas	384.97	J/mol×K	919.22	Calculated Property
Cp,gas	400.93	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

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

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