Chemical Properties of 4-isopropyl-1-methylcyclohepta-1,3,5-triene

InChI

InChI=1S/C11H16/c1-9(2)11-6-4-5-10(3)7-8-11/h4,6-9H,5H2,1-3H3

InChI Key

XSAARUMVRDUCPJ-UHFFFAOYSA-N

Formula

C11H16

SMILES

CC1=CC=C(C(C)C)C=CC1

Molecular Weight¹

148.25

• 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).
• IE : Ionization energy (eV).
• 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°	12.28	kJ/mol	Joback Calculated Property
IE	7.99	eV	Relay (1.0) Calculated Property
logPoct/wat	3.475		Crippen Calculated Property
McVol	142.090	ml/mol	McGowan Calculated Property
Inp	[1082.50; 1082.50]
Inp	1082.50		NIST
Inp	1082.50		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, 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	[178.92; 467.58]	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			-3.35200e+01
Coefficient B			9.06760e-01
Coefficient C			-4.95560e-04
Coefficient D			8.99000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	178.92	J/mol×K	273.00	Calculated Property
Cp,gas	229.23	J/mol×K	353.78	Calculated Property
Cp,gas	274.31	J/mol×K	434.56	Calculated Property
Cp,gas	314.46	J/mol×K	515.33	Calculated Property
Cp,gas	349.96	J/mol×K	596.11	Calculated Property
Cp,gas	381.08	J/mol×K	676.89	Calculated Property
Cp,gas	408.12	J/mol×K	757.67	Calculated Property
Cp,gas	431.36	J/mol×K	838.44	Calculated Property
Cp,gas	451.09	J/mol×K	919.22	Calculated Property
Cp,gas	467.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0054660; 0.0001594]	Pa×s	[234.15; 491.96]	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			-1.19551e+01
Coefficient B			1.57955e+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.			234.15
Temperature range, max.			491.96
η	0.0054660	Pa×s	234.15	Calculated Property
η	0.0026201	Pa×s	262.80	Calculated Property
η	0.0014513	Pa×s	291.44	Calculated Property
η	0.0008935	Pa×s	320.09	Calculated Property
η	0.0005958	Pa×s	348.73	Calculated Property
η	0.0004224	Pa×s	377.38	Calculated Property
η	0.0003144	Pa×s	406.02	Calculated Property
η	0.0002433	Pa×s	434.67	Calculated Property
η	0.0001944	Pa×s	463.31	Calculated Property
η	0.0001594	Pa×s	491.96	Calculated Property

Similar Compounds

Find more compounds similar to 4-isopropyl-1-methylcyclohepta-1,3,5-triene.

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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