Chemical Properties of 5,8-Dihydro-5,8-endomethylene-2-methyl-1,4-naphthohydroquinone (CAS 14944-13-9)

InChI

InChI=1S/C12H12O2/c1-6-4-9(13)10-7-2-3-8(5-7)11(10)12(6)14/h2-4,7-8,13-14H,5H2,1H3

InChI Key

QODAUEJILFBJKF-UHFFFAOYSA-N

Formula

C12H12O2

SMILES

Cc1cc(O)c2c(c1O)C1C=CC2C1

Molecular Weight¹

188.22

CAS

14944-13-9

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[193.20; 485.05]	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			-1.18750e+02
Coefficient B			1.51052e+00
Coefficient C			-1.51292e-03
Coefficient D			6.06200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	193.20	J/mol×K	273.00	Calculated Property
Cp,gas	253.12	J/mol×K	353.78	Calculated Property
Cp,gas	301.70	J/mol×K	434.56	Calculated Property
Cp,gas	340.85	J/mol×K	515.33	Calculated Property
Cp,gas	372.48	J/mol×K	596.11	Calculated Property
Cp,gas	398.52	J/mol×K	676.89	Calculated Property
Cp,gas	420.88	J/mol×K	757.67	Calculated Property
Cp,gas	441.48	J/mol×K	838.44	Calculated Property
Cp,gas	462.23	J/mol×K	919.22	Calculated Property
Cp,gas	485.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001520; 0.0000312]	Pa×s	[540.06; 649.99]	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			-1.81534e+01
Coefficient B			5.05601e+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.			540.06
Temperature range, max.			649.99
η	0.0001520	Pa×s	540.06	Calculated Property
η	0.0001236	Pa×s	552.27	Calculated Property
η	0.0001014	Pa×s	564.49	Calculated Property
η	0.0000839	Pa×s	576.70	Calculated Property
η	0.0000699	Pa×s	588.92	Calculated Property
η	0.0000587	Pa×s	601.13	Calculated Property
η	0.0000497	Pa×s	613.34	Calculated Property
η	0.0000423	Pa×s	625.56	Calculated Property
η	0.0000362	Pa×s	637.77	Calculated Property
η	0.0000312	Pa×s	649.99	Calculated Property

Similar Compounds

Find more compounds similar to 5,8-Dihydro-5,8-endomethylene-2-methyl-1,4-naphthohydroquinone.

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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