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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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 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).
• P_c : Critical Pressure (kPa).
• P_sub : Sublimation pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[447.46; 501.77]	J/mol×K	[758.51; 990.34]
Cp,gas	447.46	J/mol×K	758.51	Joback Calculated Property
Cp,gas	458.17	J/mol×K	797.15	Joback Calculated Property
Cp,gas	468.10	J/mol×K	835.79	Joback Calculated Property
Cp,gas	477.32	J/mol×K	874.42	Joback Calculated Property
Cp,gas	485.94	J/mol×K	913.06	Joback Calculated Property
Cp,gas	494.06	J/mol×K	951.70	Joback Calculated Property
Cp,gas	501.77	J/mol×K	990.34	Joback Calculated Property
η	[0.0001466; 0.0014372]	Pa×s	[484.20; 758.51]
η	0.0014372	Pa×s	484.20	Joback Calculated Property
η	0.0008337	Pa×s	529.92	Joback Calculated Property
η	0.0005273	Pa×s	575.64	Joback Calculated Property
η	0.0003568	Pa×s	621.36	Joback Calculated Property
η	0.0002547	Pa×s	667.07	Joback Calculated Property
η	0.0001898	Pa×s	712.79	Joback Calculated Property
η	0.0001466	Pa×s	758.51	Joback Calculated Property
ΔvapH	125.50	kJ/mol	298.15	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	[1.12e-04; 9.64e-04]	kPa	[383.08; 405.15]
Psub	1.19e-04	kPa	383.08	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	1.12e-04	kPa	383.08	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	1.13e-04	kPa	383.08	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	1.48e-04	kPa	385.15	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	1.43e-04	kPa	385.15	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	1.35e-04	kPa	385.15	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	1.73e-04	kPa	387.25	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	1.69e-04	kPa	387.25	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	1.62e-04	kPa	387.25	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	2.17e-04	kPa	389.12	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	2.12e-04	kPa	389.12	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	2.05e-04	kPa	389.12	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	2.58e-04	kPa	391.13	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	2.45e-04	kPa	391.13	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	3.15e-04	kPa	393.14	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	3.06e-04	kPa	393.14	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	3.81e-04	kPa	395.13	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	3.78e-04	kPa	395.13	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	3.65e-04	kPa	395.13	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	4.81e-04	kPa	397.11	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	4.63e-04	kPa	397.11	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	5.60e-04	kPa	399.14	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	5.45e-04	kPa	399.14	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	5.52e-04	kPa	399.14	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	6.83e-04	kPa	401.13	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	6.94e-04	kPa	401.13	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	6.74e-04	kPa	401.13	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	8.36e-04	kPa	403.12	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	8.29e-04	kPa	403.12	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	7.82e-04	kPa	403.12	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	9.64e-04	kPa	405.15	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	9.41e-04	kPa	405.15	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)
• 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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