Chemical Properties of 2-(3-Pentoxy)-1,3-cyclohexadiene

InChI

InChI=1S/C11H18O/c1-3-10(4-2)12-11-8-6-5-7-9-11/h6,8-10H,3-5,7H2,1-2H3

InChI Key

OYRUAAIPXOFPBU-UHFFFAOYSA-N

Formula

C11H18O

SMILES

CCC(CC)OC1=CCCC=C1

Molecular Weight¹

166.26

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy, 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	[203.14; 518.64]	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			-2.49780e+01
Coefficient B			9.68640e-01
Coefficient C			-5.10720e-04
Coefficient D			8.57000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	203.14	J/mol×K	273.00	Calculated Property
Cp,gas	257.58	J/mol×K	353.78	Calculated Property
Cp,gas	306.54	J/mol×K	434.56	Calculated Property
Cp,gas	350.29	J/mol×K	515.33	Calculated Property
Cp,gas	389.11	J/mol×K	596.11	Calculated Property
Cp,gas	423.26	J/mol×K	676.89	Calculated Property
Cp,gas	453.02	J/mol×K	757.67	Calculated Property
Cp,gas	478.66	J/mol×K	838.44	Calculated Property
Cp,gas	500.44	J/mol×K	919.22	Calculated Property
Cp,gas	518.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0050791; 0.0001852]	Pa×s	[246.62; 492.64]	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			-1.19134e+01
Coefficient B			1.63529e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			246.62
Temperature range, max.			492.64
η	0.0050791	Pa×s	246.62	Calculated Property
η	0.0026209	Pa×s	273.96	Calculated Property
η	0.0015249	Pa×s	301.29	Calculated Property
η	0.0009709	Pa×s	328.63	Calculated Property
η	0.0006626	Pa×s	355.96	Calculated Property
η	0.0004775	Pa×s	383.30	Calculated Property
η	0.0003594	Pa×s	410.63	Calculated Property
η	0.0002803	Pa×s	437.97	Calculated Property
η	0.0002251	Pa×s	465.30	Calculated Property
η	0.0001852	Pa×s	492.64	Calculated Property

Similar Compounds

Find more compounds similar to 2-(3-Pentoxy)-1,3-cyclohexadiene.

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.
These property values are available through the Cheméo API. A free account gives you an access key.