Chemical Properties of opianic acid

InChI

InChI=1S/C10H10O5/c1-14-7-4-3-6(5-11)8(10(12)13)9(7)15-2/h3-5H,1-2H3,(H,12,13)

InChI Key

HVXXOIGTXJOVON-UHFFFAOYSA-N

Formula

C10H10O5

SMILES

COc1ccc(C=O)c(C(=O)O)c1OC

Molecular Weight¹

210.19

• 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_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[217.36; 446.15]	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			6.97900e+01
Coefficient B			5.95340e-01
Coefficient C			-1.93880e-04
Coefficient D			-2.51000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	217.36	J/mol×K	273.00	Calculated Property
Cp,gas	255.03	J/mol×K	353.78	Calculated Property
Cp,gas	289.83	J/mol×K	434.56	Calculated Property
Cp,gas	321.67	J/mol×K	515.33	Calculated Property
Cp,gas	350.47	J/mol×K	596.11	Calculated Property
Cp,gas	376.15	J/mol×K	676.89	Calculated Property
Cp,gas	398.64	J/mol×K	757.67	Calculated Property
Cp,gas	417.86	J/mol×K	838.44	Calculated Property
Cp,gas	433.72	J/mol×K	919.22	Calculated Property
Cp,gas	446.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014053; 0.0002007]	Pa×s	[421.65; 649.75]	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			-1.21110e+01
Coefficient B			2.33743e+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.			421.65
Temperature range, max.			649.75
η	0.0014053	Pa×s	421.65	Calculated Property
η	0.0010263	Pa×s	446.99	Calculated Property
η	0.0007752	Pa×s	472.34	Calculated Property
η	0.0006025	Pa×s	497.68	Calculated Property
η	0.0004799	Pa×s	523.03	Calculated Property
η	0.0003903	Pa×s	548.37	Calculated Property
η	0.0003233	Pa×s	573.72	Calculated Property
η	0.0002721	Pa×s	599.06	Calculated Property
η	0.0002323	Pa×s	624.41	Calculated Property
η	0.0002007	Pa×s	649.75	Calculated Property

Similar Compounds

Find more compounds similar to opianic acid.

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

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.