Chemical Properties of 1,3-Cyclohexadiene, 6-iodo-1-methyl

InChI

InChI=1S/C7H9I/c1-6-4-2-3-5-7(6)8/h2-4,7H,5H2,1H3

InChI Key

YTOJCIZZFOUWST-UHFFFAOYSA-N

Formula

C7H9I

SMILES

CC1=CC=CCC1I

Molecular Weight¹

220.05

• 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	[122.54; 309.07]	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			-2.75300e+01
Coefficient B			6.58420e-01
Coefficient C			-4.26920e-04
Coefficient D			1.05100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	122.54	J/mol×K	273.00	Calculated Property
Cp,gas	156.63	J/mol×K	353.78	Calculated Property
Cp,gas	186.60	J/mol×K	434.56	Calculated Property
Cp,gas	212.78	J/mol×K	515.33	Calculated Property
Cp,gas	235.52	J/mol×K	596.11	Calculated Property
Cp,gas	255.14	J/mol×K	676.89	Calculated Property
Cp,gas	271.97	J/mol×K	757.67	Calculated Property
Cp,gas	286.35	J/mol×K	838.44	Calculated Property
Cp,gas	298.60	J/mol×K	919.22	Calculated Property
Cp,gas	309.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035890; 0.0002993]	Pa×s	[248.13; 507.35]	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			-1.04921e+01
Coefficient B			1.20647e+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.			248.13
Temperature range, max.			507.35
η	0.0035890	Pa×s	248.13	Calculated Property
η	0.0021645	Pa×s	276.93	Calculated Property
η	0.0014359	Pa×s	305.73	Calculated Property
η	0.0010223	Pa×s	334.54	Calculated Property
η	0.0007681	Pa×s	363.34	Calculated Property
η	0.0006019	Pa×s	392.14	Calculated Property
η	0.0004876	Pa×s	420.94	Calculated Property
η	0.0004058	Pa×s	449.74	Calculated Property
η	0.0003453	Pa×s	478.54	Calculated Property
η	0.0002993	Pa×s	507.35	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Cyclohexadiene, 6-iodo-1-methyl.

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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