Chemical Properties of 9H-xanthene-9-carboxylic acid

InChI

InChI=1S/C14H10O3/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H,15,16)

InChI Key

VSBFNCXKYIEYIS-UHFFFAOYSA-N

Formula

C14H10O3

SMILES

O=C(O)C1c2ccccc2Oc2ccccc21

Molecular Weight¹

226.23

Other Names

• 9-xanthenecarboxylic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• 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 vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[205.50; 506.73]	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			-7.22500e+01
Coefficient B			1.26530e+00
Coefficient C			-9.91420e-04
Coefficient D			3.05100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.50	J/mol×K	273.00	Calculated Property
Cp,gas	264.81	J/mol×K	353.78	Calculated Property
Cp,gas	315.41	J/mol×K	434.56	Calculated Property
Cp,gas	358.27	J/mol×K	515.33	Calculated Property
Cp,gas	394.34	J/mol×K	596.11	Calculated Property
Cp,gas	424.59	J/mol×K	676.89	Calculated Property
Cp,gas	449.99	J/mol×K	757.67	Calculated Property
Cp,gas	471.51	J/mol×K	838.44	Calculated Property
Cp,gas	490.10	J/mol×K	919.22	Calculated Property
Cp,gas	506.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014353; 0.0006108]	Pa×s	[534.05; 707.69]	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			-1.00284e+01
Coefficient B			1.85960e+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.			534.05
Temperature range, max.			707.69
η	0.0014353	Pa×s	534.05	Calculated Property
η	0.0012712	Pa×s	553.34	Calculated Property
η	0.0011351	Pa×s	572.64	Calculated Property
η	0.0010211	Pa×s	591.93	Calculated Property
η	0.0009247	Pa×s	611.22	Calculated Property
η	0.0008425	Pa×s	630.52	Calculated Property
η	0.0007719	Pa×s	649.81	Calculated Property
η	0.0007107	Pa×s	669.10	Calculated Property
η	0.0006575	Pa×s	688.40	Calculated Property
η	0.0006108	Pa×s	707.69	Calculated Property

Similar Compounds

Find more compounds similar to 9H-xanthene-9-carboxylic 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
• Crippen Method
• Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
• Joback Method
• McGowan Method

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