Chemical Properties of 2-ethoxy-3,5-hexadiene

InChI

InChI=1S/C8H14O/c1-4-6-7-8(3)9-5-2/h4,6-8H,1,5H2,2-3H3/b7-6+

InChI Key

IXTXFMUQEVEFFL-VOTSOKGWSA-N

Formula

C8H14O

SMILES

C=CC=CC(C)OCC

Molecular Weight¹

126.20

Other Names

• 3,5-Hexadiene, 2-ethoxy

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	13.06	kJ/mol	Joback Calculated Property
IE	8.61	eV	Relay (1.0) Calculated Property
logPoct/wat	2.154		Crippen Calculated Property
McVol	120.850	ml/mol	McGowan Calculated Property
Inp	[846.00; 850.00]
Inp	846.00		NIST
Inp	850.00		NIST
Inp	846.00		NIST
Tboil	383.96	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[166.47; 392.00]	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			2.26100e+00
Coefficient B			7.06540e-01
Coefficient C			-4.10300e-04
Coefficient D			9.35000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.47	J/mol×K	273.00	Calculated Property
Cp,gas	205.01	J/mol×K	353.78	Calculated Property
Cp,gas	239.48	J/mol×K	434.56	Calculated Property
Cp,gas	270.20	J/mol×K	515.33	Calculated Property
Cp,gas	297.44	J/mol×K	596.11	Calculated Property
Cp,gas	321.52	J/mol×K	676.89	Calculated Property
Cp,gas	342.71	J/mol×K	757.67	Calculated Property
Cp,gas	361.33	J/mol×K	838.44	Calculated Property
Cp,gas	377.66	J/mol×K	919.22	Calculated Property
Cp,gas	392.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0056730; 0.0001673]	Pa×s	[180.31; 409.70]	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			-1.14651e+01
Coefficient B			1.13471e+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.			180.31
Temperature range, max.			409.70
η	0.0056730	Pa×s	180.31	Calculated Property
η	0.0026022	Pa×s	205.80	Calculated Property
η	0.0014173	Pa×s	231.28	Calculated Property
η	0.0008709	Pa×s	256.77	Calculated Property
η	0.0005843	Pa×s	282.26	Calculated Property
η	0.0004189	Pa×s	307.75	Calculated Property
η	0.0003159	Pa×s	333.23	Calculated Property
η	0.0002480	Pa×s	358.72	Calculated Property
η	0.0002011	Pa×s	384.21	Calculated Property
η	0.0001673	Pa×s	409.70	Calculated Property

Similar Compounds

Find more compounds similar to 2-ethoxy-3,5-hexadiene.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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