Chemical Properties of 1,4-Methanoanthracene,1,4-dihydro-9,10-dimethoxy- (CAS 52457-25-7)

InChI

InChI=1S/C17H16O2/c1-18-16-12-5-3-4-6-13(12)17(19-2)15-11-8-7-10(9-11)14(15)16/h3-8,10-11H,9H2,1-2H3

InChI Key

MVNKVWQSNVLBIV-UHFFFAOYSA-N

Formula

C17H16O2

SMILES

COc1c2c(c(OC)c3ccccc13)C1C=CC2C1

Molecular Weight¹

252.31

CAS

52457-25-7

Other Names

• Antrhracene, 1,4-dihydro-1,4-methano-9,10-dimethoxy-

• 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	[260.40; 638.30]	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			-5.73000e+01
Coefficient B			1.42724e+00
Coefficient C			-1.05284e-03
Coefficient D			3.21200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	260.40	J/mol×K	273.00	Calculated Property
Cp,gas	330.08	J/mol×K	353.78	Calculated Property
Cp,gas	390.46	J/mol×K	434.56	Calculated Property
Cp,gas	442.56	J/mol×K	515.33	Calculated Property
Cp,gas	487.41	J/mol×K	596.11	Calculated Property
Cp,gas	526.01	J/mol×K	676.89	Calculated Property
Cp,gas	559.38	J/mol×K	757.67	Calculated Property
Cp,gas	588.55	J/mol×K	838.44	Calculated Property
Cp,gas	614.51	J/mol×K	919.22	Calculated Property
Cp,gas	638.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020487; 0.0016754]	Pa×s	[475.17; 656.99]	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			-6.91733e+00
Coefficient B			3.45350e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			475.17
Temperature range, max.			656.99
η	0.0020487	Pa×s	475.17	Calculated Property
η	0.0019889	Pa×s	495.37	Calculated Property
η	0.0019353	Pa×s	515.57	Calculated Property
η	0.0018870	Pa×s	535.78	Calculated Property
η	0.0018433	Pa×s	555.98	Calculated Property
η	0.0018036	Pa×s	576.18	Calculated Property
η	0.0017674	Pa×s	596.38	Calculated Property
η	0.0017342	Pa×s	616.59	Calculated Property
η	0.0017036	Pa×s	636.79	Calculated Property
η	0.0016754	Pa×s	656.99	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Methanoanthracene,1,4-dihydro-9,10-dimethoxy-.

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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