Chemical Properties of 1,4-Cyclohexadiene, 6-iodo

InChI

InChI=1S/C6H7I/c7-6-4-2-1-3-5-6/h2-6H,1H2

InChI Key

QFWMAPLHMRXMCV-UHFFFAOYSA-N

Formula

C6H7I

SMILES

IC1C=CCC=C1

Molecular Weight¹

206.03

• 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).
• I_np : Non-polar retention indices.
• 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	[98.77; 260.52]	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			-4.09200e+01
Coefficient B			6.22900e-01
Coefficient C			-4.39560e-04
Coefficient D			1.18100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	98.77	J/mol×K	273.00	Calculated Property
Cp,gas	129.66	J/mol×K	353.78	Calculated Property
Cp,gas	156.45	J/mol×K	434.56	Calculated Property
Cp,gas	179.51	J/mol×K	515.33	Calculated Property
Cp,gas	199.22	J/mol×K	596.11	Calculated Property
Cp,gas	215.94	J/mol×K	676.89	Calculated Property
Cp,gas	230.06	J/mol×K	757.67	Calculated Property
Cp,gas	241.95	J/mol×K	838.44	Calculated Property
Cp,gas	251.98	J/mol×K	919.22	Calculated Property
Cp,gas	260.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0051624; 0.0003101]	Pa×s	[224.34; 490.02]	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			-1.04530e+01
Coefficient B			1.16357e+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.			224.34
Temperature range, max.			490.02
η	0.0051624	Pa×s	224.34	Calculated Property
η	0.0028243	Pa×s	253.86	Calculated Property
η	0.0017521	Pa×s	283.38	Calculated Property
η	0.0011894	Pa×s	312.90	Calculated Property
η	0.0008632	Pa×s	342.42	Calculated Property
η	0.0006591	Pa×s	371.94	Calculated Property
η	0.0005237	Pa×s	401.46	Calculated Property
η	0.0004294	Pa×s	430.98	Calculated Property
η	0.0003611	Pa×s	460.50	Calculated Property
η	0.0003101	Pa×s	490.02	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Cyclohexadiene, 6-iodo.

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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