Chemical Properties of 2-hydroxy-3,5-dimethoxy-9,10-dihydrophenanthrene

InChI

InChI=1S/C16H16O3/c1-18-14-5-3-4-10-6-7-11-8-13(17)15(19-2)9-12(11)16(10)14/h3-5,8-9,17H,6-7H2,1-2H3

InChI Key

FAJHDSYEKPXYHY-UHFFFAOYSA-N

Formula

C16H16O3

SMILES

COc1cc2c(cc1O)CCc1cccc(OC)c1-2

Molecular Weight¹

256.30

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[267.47; 626.29]	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			-3.12500e+01
Coefficient B			1.34324e+00
Coefficient C			-9.97200e-04
Coefficient D			3.11500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	267.47	J/mol×K	273.00	Calculated Property
Cp,gas	332.94	J/mol×K	353.78	Calculated Property
Cp,gas	389.71	J/mol×K	434.56	Calculated Property
Cp,gas	438.77	J/mol×K	515.33	Calculated Property
Cp,gas	481.10	J/mol×K	596.11	Calculated Property
Cp,gas	517.69	J/mol×K	676.89	Calculated Property
Cp,gas	549.51	J/mol×K	757.67	Calculated Property
Cp,gas	577.56	J/mol×K	838.44	Calculated Property
Cp,gas	602.83	J/mol×K	919.22	Calculated Property
Cp,gas	626.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001545; 0.0000327]	Pa×s	[554.88; 709.43]	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			-1.59016e+01
Coefficient B			3.95424e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			554.88
Temperature range, max.			709.43
η	0.0001545	Pa×s	554.88	Calculated Property
η	0.0001247	Pa×s	572.05	Calculated Property
η	0.0001020	Pa×s	589.23	Calculated Property
η	0.0000843	Pa×s	606.40	Calculated Property
η	0.0000705	Pa×s	623.57	Calculated Property
η	0.0000595	Pa×s	640.74	Calculated Property
η	0.0000506	Pa×s	657.92	Calculated Property
η	0.0000434	Pa×s	675.09	Calculated Property
η	0.0000376	Pa×s	692.26	Calculated Property
η	0.0000327	Pa×s	709.43	Calculated Property

Similar Compounds

Find more compounds similar to 2-hydroxy-3,5-dimethoxy-9,10-dihydrophenanthrene.

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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