Chemical Properties of 2,3-dihydroxypropyl 2-(6-methoxynaphthalen-2-yl)propanoate

InChI

InChI=1S/C17H20O5/c1-11(17(20)22-10-15(19)9-18)12-3-4-14-8-16(21-2)6-5-13(14)7-12/h3-8,11,15,18-19H,9-10H2,1-2H3

InChI Key

NQGWSPZQESAHBV-UHFFFAOYSA-N

Formula

C17H20O5

SMILES

COc1ccc2cc(C(C)C(=O)OCC(O)CO)ccc2c1

Molecular Weight¹

304.34

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[329.08; 746.01]	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			8.81200e+00
Coefficient B			1.37904e+00
Coefficient C			-7.96440e-04
Coefficient D			1.54600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	329.08	J/mol×K	273.00	Calculated Property
Cp,gas	403.85	J/mol×K	353.78	Calculated Property
Cp,gas	470.37	J/mol×K	434.56	Calculated Property
Cp,gas	529.13	J/mol×K	515.33	Calculated Property
Cp,gas	580.61	J/mol×K	596.11	Calculated Property
Cp,gas	625.30	J/mol×K	676.89	Calculated Property
Cp,gas	663.70	J/mol×K	757.67	Calculated Property
Cp,gas	696.30	J/mol×K	838.44	Calculated Property
Cp,gas	723.57	J/mol×K	919.22	Calculated Property
Cp,gas	746.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002492; 0.0000071]	Pa×s	[521.71; 782.36]	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			-1.89758e+01
Coefficient B			5.57113e+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.			521.71
Temperature range, max.			782.36
η	0.0002492	Pa×s	521.71	Calculated Property
η	0.0001421	Pa×s	550.67	Calculated Property
η	0.0000857	Pa×s	579.63	Calculated Property
η	0.0000543	Pa×s	608.59	Calculated Property
η	0.0000358	Pa×s	637.55	Calculated Property
η	0.0000245	Pa×s	666.51	Calculated Property
η	0.0000173	Pa×s	695.48	Calculated Property
η	0.0000126	Pa×s	724.44	Calculated Property
η	0.0000093	Pa×s	753.40	Calculated Property
η	0.0000071	Pa×s	782.36	Calculated Property

Similar Compounds

Find more compounds similar to 2,3-dihydroxypropyl 2-(6-methoxynaphthalen-2-yl)propanoate.

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
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method

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