Chemical Properties of cis-Acenaphthen-1,2-diol, diacetate

InChI

InChI=1S/C16H14O4/c1-9(17)19-15-12-7-3-5-11-6-4-8-13(14(11)12)16(15)20-10(2)18/h3-8,15-16H,1-2H3/t15-,16+

InChI Key

AFKBNGVZYDAUNA-IYBDPMFKSA-N

Formula

C16H14O4

SMILES

CC(=O)OC1c2cccc3cccc(c23)C1OC(C)=O

Molecular Weight¹

270.28

• 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).
• 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, 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	[268.14; 630.23]	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			-3.67700e+01
Coefficient B			1.34664e+00
Coefficient C			-9.02440e-04
Coefficient D			2.22800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	268.14	J/mol×K	273.00	Calculated Property
Cp,gas	336.56	J/mol×K	353.78	Calculated Property
Cp,gas	396.29	J/mol×K	434.56	Calculated Property
Cp,gas	448.03	J/mol×K	515.33	Calculated Property
Cp,gas	492.49	J/mol×K	596.11	Calculated Property
Cp,gas	530.38	J/mol×K	676.89	Calculated Property
Cp,gas	562.39	J/mol×K	757.67	Calculated Property
Cp,gas	589.23	J/mol×K	838.44	Calculated Property
Cp,gas	611.61	J/mol×K	919.22	Calculated Property
Cp,gas	630.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018590; 0.0007673]	Pa×s	[456.12; 672.92]	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			-9.03453e+00
Coefficient B			1.25288e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			456.12
Temperature range, max.			672.92
η	0.0018590	Pa×s	456.12	Calculated Property
η	0.0016197	Pa×s	480.21	Calculated Property
η	0.0014299	Pa×s	504.30	Calculated Property
η	0.0012768	Pa×s	528.39	Calculated Property
η	0.0011514	Pa×s	552.48	Calculated Property
η	0.0010473	Pa×s	576.56	Calculated Property
η	0.0009599	Pa×s	600.65	Calculated Property
η	0.0008857	Pa×s	624.74	Calculated Property
η	0.0008222	Pa×s	648.83	Calculated Property
η	0.0007673	Pa×s	672.92	Calculated Property

Similar Compounds

Find more compounds similar to cis-Acenaphthen-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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