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

InChI

InChI=1S/C18H18O4/c1-11(19)22-17-9-13-8-7-12-5-4-6-15(20-2)18(12)14(13)10-16(17)21-3/h4-6,9-10H,7-8H2,1-3H3

InChI Key

MPPPUKPVQACBDB-UHFFFAOYSA-N

Formula

C18H18O4

SMILES

COc1cc2c(cc1OC(C)=O)CCc1cccc(OC)c1-2

Molecular Weight¹

298.33

• 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.42	kJ/mol	Joback Calculated Property
logPoct/wat	3.395		Crippen Calculated Property
McVol	225.280	ml/mol	McGowan Calculated Property
Inp	[2375.00; 2375.00]
Inp	2375.00		NIST
Inp	2375.00		NIST

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	[311.90; 712.12]	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			1.55600e+01
Coefficient B			1.26436e+00
Coefficient C			-6.88000e-04
Coefficient D			1.20200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	311.90	J/mol×K	273.00	Calculated Property
Cp,gas	382.08	J/mol×K	353.78	Calculated Property
Cp,gas	444.94	J/mol×K	434.56	Calculated Property
Cp,gas	500.87	J/mol×K	515.33	Calculated Property
Cp,gas	550.24	J/mol×K	596.11	Calculated Property
Cp,gas	593.44	J/mol×K	676.89	Calculated Property
Cp,gas	630.85	J/mol×K	757.67	Calculated Property
Cp,gas	662.85	J/mol×K	838.44	Calculated Property
Cp,gas	689.81	J/mol×K	919.22	Calculated Property
Cp,gas	712.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006492; 0.0002279]	Pa×s	[520.55; 719.85]	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			-1.11208e+01
Coefficient B			1.96824e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			520.55
Temperature range, max.			719.85
η	0.0006492	Pa×s	520.55	Calculated Property
η	0.0005564	Pa×s	542.69	Calculated Property
η	0.0004827	Pa×s	564.84	Calculated Property
η	0.0004232	Pa×s	586.98	Calculated Property
η	0.0003746	Pa×s	609.13	Calculated Property
η	0.0003345	Pa×s	631.27	Calculated Property
η	0.0003010	Pa×s	653.42	Calculated Property
η	0.0002727	Pa×s	675.56	Calculated Property
η	0.0002486	Pa×s	697.71	Calculated Property
η	0.0002279	Pa×s	719.85	Calculated Property

Similar Compounds

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

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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