Chemical Properties of 2-Hexene, 1,1-diethoxy- (CAS 54306-00-2)

InChI

InChI=1S/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h8-10H,4-7H2,1-3H3

InChI Key

WMQKYHTZGYIHHD-UHFFFAOYSA-N

Formula

C10H20O2

SMILES

CCCC=CC(OCC)OCC

Molecular Weight¹

172.27

CAS

54306-00-2

Other Names

• 1,1-Diethoxy-2-hexene
• 1,1-diethoxyhex-2-ene

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[234.11; 542.19]	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			2.89340e+01
Coefficient B			8.53360e-01
Coefficient C			-3.85200e-04
Coefficient D			4.51000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	234.11	J/mol×K	273.00	Calculated Property
Cp,gas	284.62	J/mol×K	353.78	Calculated Property
Cp,gas	330.73	J/mol×K	434.56	Calculated Property
Cp,gas	372.57	J/mol×K	515.33	Calculated Property
Cp,gas	410.30	J/mol×K	596.11	Calculated Property
Cp,gas	444.06	J/mol×K	676.89	Calculated Property
Cp,gas	473.99	J/mol×K	757.67	Calculated Property
Cp,gas	500.22	J/mol×K	838.44	Calculated Property
Cp,gas	522.91	J/mol×K	919.22	Calculated Property
Cp,gas	542.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0044403; 0.0001573]	Pa×s	[226.84; 455.24]	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			-1.20749e+01
Coefficient B			1.51028e+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.			226.84
Temperature range, max.			455.24
η	0.0044403	Pa×s	226.84	Calculated Property
η	0.0022723	Pa×s	252.22	Calculated Property
η	0.0013144	Pa×s	277.60	Calculated Property
η	0.0008333	Pa×s	302.97	Calculated Property
η	0.0005669	Pa×s	328.35	Calculated Property
η	0.0004076	Pa×s	353.73	Calculated Property
η	0.0003062	Pa×s	379.11	Calculated Property
η	0.0002385	Pa×s	404.48	Calculated Property
η	0.0001913	Pa×s	429.86	Calculated Property
η	0.0001573	Pa×s	455.24	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hexene, 1,1-diethoxy-.

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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