Chemical Properties of trans-Anthracene, 1,2,3,4-tetrahydro-1,2-diol, diacetate

InChI

InChI=1S/C18H18O4/c1-11(19)21-17-8-7-15-9-13-5-3-4-6-14(13)10-16(15)18(17)22-12(2)20/h3-6,9-10,17-18H,7-8H2,1-2H3/t17-,18-/m0/s1

InChI Key

PNDAQWCWYKIKQO-ROUUACIJSA-N

Formula

C18H18O4

SMILES

CC(=O)OC1CCc2cc3ccccc3cc2C1OC(C)=O

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

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	[300.78; 736.97]	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			-4.88300e+01
Coefficient B			1.51744e+00
Coefficient C			-9.18440e-04
Coefficient D			1.86800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	300.78	J/mol×K	273.00	Calculated Property
Cp,gas	381.33	J/mol×K	353.78	Calculated Property
Cp,gas	452.47	J/mol×K	434.56	Calculated Property
Cp,gas	514.81	J/mol×K	515.33	Calculated Property
Cp,gas	568.94	J/mol×K	596.11	Calculated Property
Cp,gas	615.43	J/mol×K	676.89	Calculated Property
Cp,gas	654.89	J/mol×K	757.67	Calculated Property
Cp,gas	687.91	J/mol×K	838.44	Calculated Property
Cp,gas	715.07	J/mol×K	919.22	Calculated Property
Cp,gas	736.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014003; 0.0003644]	Pa×s	[471.62; 714.48]	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			-1.05318e+01
Coefficient B			1.86794e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			471.62
Temperature range, max.			714.48
η	0.0014003	Pa×s	471.62	Calculated Property
η	0.0011301	Pa×s	498.60	Calculated Property
η	0.0009324	Pa×s	525.59	Calculated Property
η	0.0007838	Pa×s	552.57	Calculated Property
η	0.0006697	Pa×s	579.56	Calculated Property
η	0.0005802	Pa×s	606.54	Calculated Property
η	0.0005089	Pa×s	633.53	Calculated Property
η	0.0004511	Pa×s	660.51	Calculated Property
η	0.0004037	Pa×s	687.50	Calculated Property
η	0.0003644	Pa×s	714.48	Calculated Property

Similar Compounds

Find more compounds similar to trans-Anthracene, 1,2,3,4-tetrahydro-1,2-diol, diacetate.

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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