Chemical Properties of 1,4-Hexadiene, 3-ethyl-

InChI

InChI=1S/C8H14/c1-4-7-8(5-2)6-3/h4-5,7-8H,2,6H2,1,3H3/b7-4-

InChI Key

AGZNHDUBGPTFIN-QPJJXVBHSA-N

Formula

C8H14

SMILES

C=CC(/C=C/C)CC

Molecular Weight¹

110.20

Other Names

• 3-Ethyl-1,4-hexadiene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	11.88	kJ/mol	Joback Calculated Property
ΔvapH°	39.86	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
logPoct/wat	2.775		Crippen Calculated Property
McVol	114.980	ml/mol	McGowan Calculated Property
Inp	[903.00; 903.00]
Inp	903.00		NIST
Inp	903.00		NIST
Tboil	384.81	K	Relay (1.0) Calculated Property
Tfus	157.57	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[151.07; 373.50]	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			-2.32390e+01
Coefficient B			7.69740e-01
Coefficient C			-5.21300e-04
Coefficient D			1.48300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	151.07	J/mol×K	273.00	Calculated Property
Cp,gas	190.40	J/mol×K	353.78	Calculated Property
Cp,gas	224.98	J/mol×K	434.56	Calculated Property
Cp,gas	255.29	J/mol×K	515.33	Calculated Property
Cp,gas	281.78	J/mol×K	596.11	Calculated Property
Cp,gas	304.93	J/mol×K	676.89	Calculated Property
Cp,gas	325.21	J/mol×K	757.67	Calculated Property
Cp,gas	343.09	J/mol×K	838.44	Calculated Property
Cp,gas	359.03	J/mol×K	919.22	Calculated Property
Cp,gas	373.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0081563; 0.0001762]	Pa×s	[158.08; 393.93]	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			-1.12147e+01
Coefficient B			1.01262e+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.			158.08
Temperature range, max.			393.93
η	0.0081563	Pa×s	158.08	Calculated Property
η	0.0032801	Pa×s	184.29	Calculated Property
η	0.0016550	Pa×s	210.49	Calculated Property
η	0.0009716	Pa×s	236.70	Calculated Property
η	0.0006343	Pa×s	262.90	Calculated Property
η	0.0004474	Pa×s	289.11	Calculated Property
η	0.0003344	Pa×s	315.31	Calculated Property
η	0.0002613	Pa×s	341.52	Calculated Property
η	0.0002116	Pa×s	367.73	Calculated Property
η	0.0001762	Pa×s	393.93	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Hexadiene, 3-ethyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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