Chemical Properties of 1,3-Cyclohexadiene, 1-iodo

InChI

InChI=1S/C6H7I/c7-6-4-2-1-3-5-6/h1-2,4H,3,5H2

InChI Key

ZWRMMMHEMAELAF-UHFFFAOYSA-N

Formula

C6H7I

SMILES

IC1=CC=CCC1

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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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, 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	[99.06; 250.82]	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			-3.25600e+01
Coefficient B			5.89900e-01
Coefficient C			-4.27920e-04
Coefficient D			1.21400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	99.06	J/mol×K	273.00	Calculated Property
Cp,gas	127.95	J/mol×K	353.78	Calculated Property
Cp,gas	152.94	J/mol×K	434.56	Calculated Property
Cp,gas	174.41	J/mol×K	515.33	Calculated Property
Cp,gas	192.74	J/mol×K	596.11	Calculated Property
Cp,gas	208.32	J/mol×K	676.89	Calculated Property
Cp,gas	221.54	J/mol×K	757.67	Calculated Property
Cp,gas	232.77	J/mol×K	838.44	Calculated Property
Cp,gas	242.40	J/mol×K	919.22	Calculated Property
Cp,gas	250.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0052623; 0.0002866]	Pa×s	[241.10; 498.03]	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			-1.08880e+01
Coefficient B			1.36000e+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.			241.10
Temperature range, max.			498.03
η	0.0052623	Pa×s	241.10	Calculated Property
η	0.0028961	Pa×s	269.65	Calculated Property
η	0.0017869	Pa×s	298.20	Calculated Property
η	0.0011996	Pa×s	326.74	Calculated Property
η	0.0008586	Pa×s	355.29	Calculated Property
η	0.0006459	Pa×s	383.84	Calculated Property
η	0.0005054	Pa×s	412.39	Calculated Property
η	0.0004082	Pa×s	440.94	Calculated Property
η	0.0003384	Pa×s	469.49	Calculated Property
η	0.0002866	Pa×s	498.03	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Cyclohexadiene, 1-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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