Chemical Properties of Oxepin, 2-methyl

InChI

InChI=1S/C7H8O/c1-7-5-3-2-4-6-8-7/h2-6H,1H3

InChI Key

DMRHPVNNCCKLPE-UHFFFAOYSA-N

Formula

C7H8O

SMILES

CC1=CC=CC=CO1

Molecular Weight¹

108.14

• 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).
• 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	[109.19; 283.24]	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			-2.51800e+01
Coefficient B			5.77320e-01
Coefficient C			-3.27900e-04
Coefficient D			5.90000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	109.19	J/mol×K	273.00	Calculated Property
Cp,gas	140.64	J/mol×K	353.78	Calculated Property
Cp,gas	168.62	J/mol×K	434.56	Calculated Property
Cp,gas	193.33	J/mol×K	515.33	Calculated Property
Cp,gas	214.95	J/mol×K	596.11	Calculated Property
Cp,gas	233.66	J/mol×K	676.89	Calculated Property
Cp,gas	249.66	J/mol×K	757.67	Calculated Property
Cp,gas	263.14	J/mol×K	838.44	Calculated Property
Cp,gas	274.27	J/mol×K	919.22	Calculated Property
Cp,gas	283.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0056735; 0.0001917]	Pa×s	[218.12; 446.93]	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			-1.17886e+01
Coefficient B			1.44322e+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.			218.12
Temperature range, max.			446.93
η	0.0056735	Pa×s	218.12	Calculated Property
η	0.0028437	Pa×s	243.54	Calculated Property
η	0.0016241	Pa×s	268.97	Calculated Property
η	0.0010218	Pa×s	294.39	Calculated Property
η	0.0006920	Pa×s	319.81	Calculated Property
η	0.0004964	Pa×s	345.24	Calculated Property
η	0.0003726	Pa×s	370.66	Calculated Property
η	0.0002902	Pa×s	396.08	Calculated Property
η	0.0002330	Pa×s	421.51	Calculated Property
η	0.0001917	Pa×s	446.93	Calculated Property

Similar Compounds

Find more compounds similar to Oxepin, 2-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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