Chemical Properties of 5,8-Dihydro-5,8-ethano-2-phenyl-1,4-naphtho-hydroquinone (CAS 17694-11-0)

InChI

InChI=1S/C18H16O2/c19-15-10-14(11-4-2-1-3-5-11)18(20)17-13-8-6-12(7-9-13)16(15)17/h1-6,8,10,12-13,19-20H,7,9H2

InChI Key

IQJFMFDSYYMVHZ-UHFFFAOYSA-N

Formula

C18H16O2

SMILES

Oc1cc(-c2ccccc2)c(O)c2c1C1C=CC2CC1

Molecular Weight¹

264.32

CAS

17694-11-0

• 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	[258.33; 677.85]	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			-1.63230e+02
Coefficient B			1.99200e+00
Coefficient C			-1.82412e-03
Coefficient D			6.73200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	258.33	J/mol×K	273.00	Calculated Property
Cp,gas	343.00	J/mol×K	353.78	Calculated Property
Cp,gas	413.18	J/mol×K	434.56	Calculated Property
Cp,gas	471.02	J/mol×K	515.33	Calculated Property
Cp,gas	518.63	J/mol×K	596.11	Calculated Property
Cp,gas	558.14	J/mol×K	676.89	Calculated Property
Cp,gas	591.70	J/mol×K	757.67	Calculated Property
Cp,gas	621.41	J/mol×K	838.44	Calculated Property
Cp,gas	649.42	J/mol×K	919.22	Calculated Property
Cp,gas	677.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000377; 0.0000062]	Pa×s	[630.58; 781.82]	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			-1.94908e+01
Coefficient B			5.86776e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			630.58
Temperature range, max.			781.82
η	0.0000377	Pa×s	630.58	Calculated Property
η	0.0000296	Pa×s	647.38	Calculated Property
η	0.0000236	Pa×s	664.19	Calculated Property
η	0.0000189	Pa×s	680.99	Calculated Property
η	0.0000154	Pa×s	697.80	Calculated Property
η	0.0000126	Pa×s	714.60	Calculated Property
η	0.0000105	Pa×s	731.41	Calculated Property
η	0.0000087	Pa×s	748.21	Calculated Property
η	0.0000074	Pa×s	765.01	Calculated Property
η	0.0000062	Pa×s	781.82	Calculated Property

Similar Compounds

Find more compounds similar to 5,8-Dihydro-5,8-ethano-2-phenyl-1,4-naphtho-hydroquinone.

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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