Chemical Properties of Evernic acid, pruiss

InChI

InChI=1S/C17H16O7/c1-8-5-11(7-12(18)14(8)16(20)21)24-17(22)15-9(2)4-10(23-3)6-13(15)19/h4-7,18-19H,1-3H3,(H,20,21)

InChI Key

GODLCSLPZIBRMG-UHFFFAOYSA-N

Formula

C17H16O7

SMILES

COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2)c(O)c1

Molecular Weight¹

332.31

Other Names

• 4-[(4-methoxy-6-methylsalicyloyl)oxy]-6-methylsalicylic acid

• 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).
• 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	[340.94; 729.39]	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			1.44900e+01
Coefficient B			1.46506e+00
Coefficient C			-1.07496e-03
Coefficient D			3.24800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	340.94	J/mol×K	273.00	Calculated Property
Cp,gas	412.64	J/mol×K	353.78	Calculated Property
Cp,gas	474.80	J/mol×K	434.56	Calculated Property
Cp,gas	528.46	J/mol×K	515.33	Calculated Property
Cp,gas	574.64	J/mol×K	596.11	Calculated Property
Cp,gas	614.38	J/mol×K	676.89	Calculated Property
Cp,gas	648.70	J/mol×K	757.67	Calculated Property
Cp,gas	678.62	J/mol×K	838.44	Calculated Property
Cp,gas	705.17	J/mol×K	919.22	Calculated Property
Cp,gas	729.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000003; 0.0000001]	Pa×s	[832.87; 910.56]	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			-2.46229e+01
Coefficient B			8.07927e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			832.87
Temperature range, max.			910.56
η	0.0000003	Pa×s	832.87	Calculated Property
η	0.0000003	Pa×s	841.50	Calculated Property
η	0.0000003	Pa×s	850.13	Calculated Property
η	0.0000002	Pa×s	858.77	Calculated Property
η	0.0000002	Pa×s	867.40	Calculated Property
η	0.0000002	Pa×s	876.03	Calculated Property
η	0.0000002	Pa×s	884.66	Calculated Property
η	0.0000002	Pa×s	893.29	Calculated Property
η	0.0000002	Pa×s	901.93	Calculated Property
η	0.0000001	Pa×s	910.56	Calculated Property

Similar Compounds

Find more compounds similar to Evernic acid, pruiss.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.