Chemical Properties of 7-Methoxycycloheptatriene

InChI

InChI=1S/C8H10O/c1-9-8-6-4-2-3-5-7-8/h2-8H,1H3

InChI Key

RUJLQZXBIZHGNF-UHFFFAOYSA-N

Formula

C8H10O

SMILES

COC1C=CC=CC=C1

Molecular Weight¹

122.17

Other Names

• 1,3,5-Cycloheptatriene, 7-methoxy-
• 7-Methoxy-1,3,5-cycloheptatriene
• 7-Methoxycyclohepta-1,3,5-triene

• 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).
• 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, 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	[128.16; 343.51]	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			-2.62700e+01
Coefficient B			6.45120e-01
Coefficient C			-2.96840e-04
Coefficient D			2.15000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	128.16	J/mol×K	273.00	Calculated Property
Cp,gas	165.76	J/mol×K	353.78	Calculated Property
Cp,gas	199.78	J/mol×K	434.56	Calculated Property
Cp,gas	230.29	J/mol×K	515.33	Calculated Property
Cp,gas	257.37	J/mol×K	596.11	Calculated Property
Cp,gas	281.07	J/mol×K	676.89	Calculated Property
Cp,gas	301.46	J/mol×K	757.67	Calculated Property
Cp,gas	318.62	J/mol×K	838.44	Calculated Property
Cp,gas	332.62	J/mol×K	919.22	Calculated Property
Cp,gas	343.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039749; 0.0001649]	Pa×s	[208.29; 449.10]	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			-1.14626e+01
Coefficient B			1.23617e+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.			208.29
Temperature range, max.			449.10
η	0.0039749	Pa×s	208.29	Calculated Property
η	0.0020226	Pa×s	235.05	Calculated Property
η	0.0011816	Pa×s	261.80	Calculated Property
η	0.0007627	Pa×s	288.56	Calculated Property
η	0.0005302	Pa×s	315.32	Calculated Property
η	0.0003902	Pa×s	342.08	Calculated Property
η	0.0003002	Pa×s	368.83	Calculated Property
η	0.0002393	Pa×s	395.59	Calculated Property
η	0.0001963	Pa×s	422.35	Calculated Property
η	0.0001649	Pa×s	449.10	Calculated Property

Similar Compounds

Find more compounds similar to 7-Methoxycycloheptatriene.

Sources

• 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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