Chemical Properties of 6-[(Z)-1-BUTENYL]-1,4-CYCLOHEPTADIENE

InChI

InChI=1S/C11H16/c1-2-3-8-11-9-6-4-5-7-10-11/h3-4,6-8,10-11H,2,5,9H2,1H3/b8-3-

InChI Key

KIFXGGYCNMHCSX-BAQGIRSFSA-N

Formula

C11H16

SMILES

CC/C=C\C1C=CCC=CC1

Molecular Weight¹

148.25

Other Names

• 6-[(1Z)-1-Butenyl]-1,4-cycloheptadiene
• Ectocarpene

• 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	[168.87; 480.50]	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			-7.64590e+01
Coefficient B			1.06932e+00
Coefficient C			-6.67560e-04
Coefficient D			1.55200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	168.87	J/mol×K	273.00	Calculated Property
Cp,gas	225.16	J/mol×K	353.78	Calculated Property
Cp,gas	274.89	J/mol×K	434.56	Calculated Property
Cp,gas	318.55	J/mol×K	515.33	Calculated Property
Cp,gas	356.63	J/mol×K	596.11	Calculated Property
Cp,gas	389.62	J/mol×K	676.89	Calculated Property
Cp,gas	418.01	J/mol×K	757.67	Calculated Property
Cp,gas	442.30	J/mol×K	838.44	Calculated Property
Cp,gas	462.96	J/mol×K	919.22	Calculated Property
Cp,gas	480.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0074717; 0.0001608]	Pa×s	[214.03; 485.81]	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			-1.17581e+01
Coefficient B			1.46856e+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.			214.03
Temperature range, max.			485.81
η	0.0074717	Pa×s	214.03	Calculated Property
η	0.0031986	Pa×s	244.23	Calculated Property
η	0.0016504	Pa×s	274.43	Calculated Property
η	0.0009710	Pa×s	304.62	Calculated Property
η	0.0006286	Pa×s	334.82	Calculated Property
η	0.0004373	Pa×s	365.02	Calculated Property
η	0.0003216	Pa×s	395.22	Calculated Property
η	0.0002470	Pa×s	425.41	Calculated Property
η	0.0001965	Pa×s	455.61	Calculated Property
η	0.0001608	Pa×s	485.81	Calculated Property

Similar Compounds

Find more compounds similar to 6-[(Z)-1-BUTENYL]-1,4-CYCLOHEPTADIENE.

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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