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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[450.14; 508.89]	J/mol×K	[758.17; 1010.98]
Cp,gas	450.14	J/mol×K	758.17	Joback Calculated Property
Cp,gas	461.77	J/mol×K	800.31	Joback Calculated Property
Cp,gas	472.49	J/mol×K	842.44	Joback Calculated Property
Cp,gas	482.42	J/mol×K	884.58	Joback Calculated Property
Cp,gas	491.71	J/mol×K	926.71	Joback Calculated Property
Cp,gas	500.49	J/mol×K	968.85	Joback Calculated Property
Cp,gas	508.89	J/mol×K	1010.98	Joback Calculated Property
η	[0.0005128; 0.0014353]	Pa×s	[534.05; 758.17]
η	0.0014353	Pa×s	534.05	Joback Calculated Property
η	0.0011431	Pa×s	571.40	Joback Calculated Property
η	0.0009362	Pa×s	608.76	Joback Calculated Property
η	0.0007846	Pa×s	646.11	Joback Calculated Property
η	0.0006704	Pa×s	683.46	Joback Calculated Property
η	0.0005823	Pa×s	720.82	Joback Calculated Property
η	0.0005128	Pa×s	758.17	Joback Calculated Property
ΔvapH	125.50	kJ/mol	298.15	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)

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

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.