Chemical Properties of 1,3-Cyclohexadiene, 2-iodo-1-methyl

InChI

InChI=1S/C7H9I/c1-6-4-2-3-5-7(6)8/h3,5H,2,4H2,1H3

InChI Key

VYBSRQUKVBJPPK-UHFFFAOYSA-N

Formula

C7H9I

SMILES

CC1=C(I)C=CCC1

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

Property	Value	Unit	Source
ΔfusH°	10.72	kJ/mol	Joback Calculated Property
logPoct/wat	3.045		Crippen Calculated Property
McVol	115.850	ml/mol	McGowan Calculated Property
Inp	[1183.00; 1183.00]
Inp	1183.00		NIST
Inp	1183.00		NIST

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	[122.82; 299.37]	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			-1.91700e+01
Coefficient B			6.25420e-01
Coefficient C			-4.15280e-04
Coefficient D			1.08400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	122.82	J/mol×K	273.00	Calculated Property
Cp,gas	154.91	J/mol×K	353.78	Calculated Property
Cp,gas	183.08	J/mol×K	434.56	Calculated Property
Cp,gas	207.68	J/mol×K	515.33	Calculated Property
Cp,gas	229.04	J/mol×K	596.11	Calculated Property
Cp,gas	247.52	J/mol×K	676.89	Calculated Property
Cp,gas	263.44	J/mol×K	757.67	Calculated Property
Cp,gas	277.17	J/mol×K	838.44	Calculated Property
Cp,gas	289.03	J/mol×K	919.22	Calculated Property
Cp,gas	299.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035851; 0.0002735]	Pa×s	[264.89; 515.20]	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			-1.09271e+01
Coefficient B			1.40290e+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.			264.89
Temperature range, max.			515.20
η	0.0035851	Pa×s	264.89	Calculated Property
η	0.0021675	Pa×s	292.70	Calculated Property
η	0.0014300	Pa×s	320.51	Calculated Property
η	0.0010082	Pa×s	348.33	Calculated Property
η	0.0007485	Pa×s	376.14	Calculated Property
η	0.0005790	Pa×s	403.95	Calculated Property
η	0.0004630	Pa×s	431.76	Calculated Property
η	0.0003803	Pa×s	459.57	Calculated Property
η	0.0003195	Pa×s	487.39	Calculated Property
η	0.0002735	Pa×s	515.20	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Cyclohexadiene, 2-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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