Chemical Properties of 5,8-Endomethylene-5,8-dihydro-1,4-naphthohydroquinone (CAS 3090-47-9)

InChI

InChI=1S/C11H10O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h1-4,6-7,12-13H,5H2

InChI Key

PQZMLJBZPCMYDX-UHFFFAOYSA-N

Formula

C11H10O2

SMILES

Oc1ccc(O)c2c1C1C=CC2C1

Molecular Weight¹

174.20

CAS

3090-47-9

• 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).
• 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	[169.44; 436.50]	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			-1.32140e+02
Coefficient B			1.47500e+00
Coefficient C			-1.52556e-03
Coefficient D			6.19200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	169.44	J/mol×K	273.00	Calculated Property
Cp,gas	226.16	J/mol×K	353.78	Calculated Property
Cp,gas	271.56	J/mol×K	434.56	Calculated Property
Cp,gas	307.58	J/mol×K	515.33	Calculated Property
Cp,gas	336.18	J/mol×K	596.11	Calculated Property
Cp,gas	359.33	J/mol×K	676.89	Calculated Property
Cp,gas	378.98	J/mol×K	757.67	Calculated Property
Cp,gas	397.08	J/mol×K	838.44	Calculated Property
Cp,gas	415.60	J/mol×K	919.22	Calculated Property
Cp,gas	436.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002214; 0.0000365]	Pa×s	[516.27; 633.86]	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			-1.81258e+01
Coefficient B			5.01311e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			516.27
Temperature range, max.			633.86
η	0.0002214	Pa×s	516.27	Calculated Property
η	0.0001742	Pa×s	529.34	Calculated Property
η	0.0001387	Pa×s	542.40	Calculated Property
η	0.0001116	Pa×s	555.47	Calculated Property
η	0.0000907	Pa×s	568.53	Calculated Property
η	0.0000744	Pa×s	581.60	Calculated Property
η	0.0000616	Pa×s	594.66	Calculated Property
η	0.0000514	Pa×s	607.73	Calculated Property
η	0.0000432	Pa×s	620.79	Calculated Property
η	0.0000365	Pa×s	633.86	Calculated Property

Similar Compounds

Find more compounds similar to 5,8-Endomethylene-5,8-dihydro-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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