Chemical Properties of (Z)-2,5-Dimethylhex-3-ene (CAS 10557-44-5)

InChI

InChI=1S/C8H16/c1-7(2)5-6-8(3)4/h5-8H,1-4H3/b6-5-

InChI Key

KNCMKWVOMRUHKZ-WAYWQWQTSA-N

Formula

C8H16

SMILES

CC(C)C=CC(C)C

Molecular Weight¹

112.21

CAS

10557-44-5

Other Names

• 3-Hexene, 2,5-dimethyl-, (Z)-
• (Z)-2,5-Dimethyl-3-hexene

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_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).
• 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	0.3067		Relay (1.0) Calculated Property
ΔcH°liquid	[-5283.70; -5273.80]	kJ/mol
ΔcH°liquid	-5283.70 ± 1.80	kJ/mol	NIST
ΔcH°liquid	-5273.80 ± 1.20	kJ/mol	NIST
ΔfG°	91.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-111.30	kJ/mol	NIST
ΔfH°liquid	-151.10 ± 1.80	kJ/mol	NIST
ΔfusH°	9.63	kJ/mol	Joback Calculated Property
ΔvapH°	37.20	kJ/mol	NIST
IE	8.85 ± 0.01	eV	NIST
log10WS	-4.35		Relay (1.0) Calculated Property
logPoct/wat	2.855		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Pc	2718.33	kPa	Joback Calculated Property
Inp	[683.90; 701.00]
Inp	696.60		NIST
Inp	683.90		NIST
Inp	701.00		NIST
Tboil	371.80 ± 0.70	K	NIST
Tc	531.12	K	Relay (1.0) Calculated Property
Tfus	190.78	K	Relay (1.0) Calculated Property
Vc	0.458	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[160.56; 402.55]	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			-2.19300e+01
Coefficient B			7.95680e-01
Coefficient C			-5.01600e-04
Coefficient D			1.30400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.56	J/mol×K	273.00	Calculated Property
Cp,gas	202.56	J/mol×K	353.78	Calculated Property
Cp,gas	239.82	J/mol×K	434.56	Calculated Property
Cp,gas	272.75	J/mol×K	515.33	Calculated Property
Cp,gas	301.76	J/mol×K	596.11	Calculated Property
Cp,gas	327.28	J/mol×K	676.89	Calculated Property
Cp,gas	349.70	J/mol×K	757.67	Calculated Property
Cp,gas	369.44	J/mol×K	838.44	Calculated Property
Cp,gas	386.92	J/mol×K	919.22	Calculated Property
Cp,gas	402.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0231611; 0.0001747]	Pa×s	[144.84; 396.25]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.14676e+01
Coefficient B			1.11560e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			144.84
Temperature range, max.			396.25
η	0.0231611	Pa×s	144.84	Calculated Property
η	0.0066669	Pa×s	172.77	Calculated Property
η	0.0027141	Pa×s	200.71	Calculated Property
η	0.0013763	Pa×s	228.64	Calculated Property
η	0.0008091	Pa×s	256.58	Calculated Property
η	0.0005280	Pa×s	284.51	Calculated Property
η	0.0003718	Pa×s	312.45	Calculated Property
η	0.0002774	Pa×s	340.38	Calculated Property
η	0.0002163	Pa×s	368.32	Calculated Property
η	0.0001747	Pa×s	396.25	Calculated Property

Similar Compounds

Find more compounds similar to (Z)-2,5-Dimethylhex-3-ene.

Sources

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

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