Chemical Properties of 9H-xanthen-9-ol

InChI

InChI=1S/C13H10O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,13-14H

InChI Key

JFRMYMMIJXLMBB-UHFFFAOYSA-N

Formula

C13H10O2

SMILES

OC1c2ccccc2Oc2ccccc21

Molecular Weight¹

198.22

• 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).
• 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_sub : Sublimation pressure (kPa).
• 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 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
Psub	[5.67e-05; 8.79e-04]	kPa	[333.18; 355.18]
Psub	6.91e-05	kPa	333.18	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	5.67e-05	kPa	333.18	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	6.28e-05	kPa	333.18	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	8.54e-05	kPa	335.14	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	8.17e-05	kPa	335.14	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	7.79e-05	kPa	335.14	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	1.05e-04	kPa	337.08	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	1.13e-04	kPa	337.08	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	1.04e-04	kPa	337.08	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	1.52e-04	kPa	339.18	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	1.35e-04	kPa	339.18	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	1.32e-04	kPa	339.18	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	1.84e-04	kPa	341.13	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	1.81e-04	kPa	341.13	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	1.64e-04	kPa	341.13	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	2.26e-04	kPa	343.08	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	2.32e-04	kPa	343.08	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	2.16e-04	kPa	343.08	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	2.62e-04	kPa	345.08	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	2.75e-04	kPa	345.08	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	2.60e-04	kPa	345.08	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	3.36e-04	kPa	347.14	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	3.32e-04	kPa	347.14	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	3.10e-04	kPa	347.14	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	4.36e-04	kPa	349.17	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	3.74e-04	kPa	349.17	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	3.88e-04	kPa	349.17	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	5.41e-04	kPa	351.07	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	5.56e-04	kPa	351.07	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	5.35e-04	kPa	351.07	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	6.85e-04	kPa	353.12	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	6.41e-04	kPa	353.12	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	6.13e-04	kPa	353.12	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	8.79e-04	kPa	355.18	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	7.53e-04	kPa	355.18	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
Psub	7.63e-04	kPa	355.18	Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[183.16; 463.03]	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			-7.06500e+01
Coefficient B			1.15350e+00
Coefficient C			-8.94820e-04
Coefficient D			2.75000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	183.16	J/mol×K	273.00	Calculated Property
Cp,gas	237.61	J/mol×K	353.78	Calculated Property
Cp,gas	284.20	J/mol×K	434.56	Calculated Property
Cp,gas	323.79	J/mol×K	515.33	Calculated Property
Cp,gas	357.24	J/mol×K	596.11	Calculated Property
Cp,gas	385.44	J/mol×K	676.89	Calculated Property
Cp,gas	409.25	J/mol×K	757.67	Calculated Property
Cp,gas	429.54	J/mol×K	838.44	Calculated Property
Cp,gas	447.17	J/mol×K	919.22	Calculated Property
Cp,gas	463.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019920; 0.0002277]	Pa×s	[423.00; 638.78]	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			-1.26396e+01
Coefficient B			2.71609e+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.			423.00
Temperature range, max.			638.78
η	0.0019920	Pa×s	423.00	Calculated Property
η	0.0014116	Pa×s	446.98	Calculated Property
η	0.0010360	Pa×s	470.95	Calculated Property
η	0.0007835	Pa×s	494.93	Calculated Property
η	0.0006080	Pa×s	518.90	Calculated Property
η	0.0004825	Pa×s	542.88	Calculated Property
η	0.0003905	Pa×s	566.85	Calculated Property
η	0.0003215	Pa×s	590.83	Calculated Property
η	0.0002687	Pa×s	614.80	Calculated Property
η	0.0002277	Pa×s	638.78	Calculated Property

Similar Compounds

Find more compounds similar to 9H-xanthen-9-ol.

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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