Chemical Properties of 9H-Fluoren-9-ol (CAS 1689-64-1)

InChI

InChI=1S/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H

InChI Key

AFMVESZOYKHDBJ-UHFFFAOYSA-N

Formula

C13H10O

SMILES

OC1c2ccccc2-c2ccccc21

Molecular Weight¹

182.22

CAS

1689-64-1

Other Names

• 9-fluorenol
• 9-hydroxyfluorene
• 9H-Fluorene-9-ol
• Diphenylene carbinol
• Fluoren-9-ol
• Fluorenol

• 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 standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_sub : Sublimation pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-13.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.20	kJ/mol	Experimental and Computational Study of the Thermodynamic Properties of 9-Fluorenone and 9-Fluorenol
ΔvapH°	93.50	kJ/mol	Relay (1.0) Calculated Property
IE	8.20	eV	Relay (1.0) Calculated Property
logPoct/wat	2.749		Crippen Calculated Property
McVol	141.520	ml/mol	McGowan Calculated Property
Inp	[280.50; 1791.00]
Inp	1791.00		NIST
Inp	1704.00		NIST
Inp	280.50		NIST
Inp	280.50		NIST
Inp	1791.00		NIST
I	2473.00		NIST
Tfus	427.60 ± 2.00	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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
ΔvapH	[48.90; 50.40]	kJ/mol	[435.00; 505.00]
ΔvapH	50.40	kJ/mol	435.00	NIST
ΔvapH	49.70	kJ/mol	465.00	NIST
ΔvapH	48.90	kJ/mol	505.00	NIST
Psub	[2.10e-05; 1.03e-03]	kPa	[326.10; 366.10]
Psub	2.10e-05	kPa	326.10	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	2.44e-05	kPa	327.50	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	3.15e-05	kPa	329.80	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	3.74e-05	kPa	331.30	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	5.12e-05	kPa	334.90	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	1.01e-04	kPa	340.90	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	1.15e-04	kPa	342.60	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	1.23e-04	kPa	343.60	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	1.44e-04	kPa	344.70	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	1.59e-04	kPa	346.10	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	1.86e-04	kPa	347.40	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	2.76e-04	kPa	351.20	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	4.02e-04	kPa	355.10	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	5.60e-04	kPa	358.70	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	7.40e-04	kPa	361.90	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	1.03e-03	kPa	366.10	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[170.69; 441.73]	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			-8.28500e+01
Coefficient B			1.16610e+00
Coefficient C			-9.55120e-04
Coefficient D			3.13600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	170.69	J/mol×K	273.00	Calculated Property
Cp,gas	224.03	J/mol×K	353.78	Calculated Property
Cp,gas	269.26	J/mol×K	434.56	Calculated Property
Cp,gas	307.35	J/mol×K	515.33	Calculated Property
Cp,gas	339.30	J/mol×K	596.11	Calculated Property
Cp,gas	366.11	J/mol×K	676.89	Calculated Property
Cp,gas	388.77	J/mol×K	757.67	Calculated Property
Cp,gas	408.26	J/mol×K	838.44	Calculated Property
Cp,gas	425.59	J/mol×K	919.22	Calculated Property
Cp,gas	441.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015831; 0.0003149]	Pa×s	[427.60; 613.86]	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			-1.17708e+01
Coefficient B			2.27585e+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.			427.60
Temperature range, max.			613.86
η	0.0015831	Pa×s	427.60	Calculated Property
η	0.0012382	Pa×s	448.30	Calculated Property
η	0.0009897	Pa×s	468.99	Calculated Property
η	0.0008062	Pa×s	489.69	Calculated Property
η	0.0006677	Pa×s	510.38	Calculated Property
η	0.0005612	Pa×s	531.08	Calculated Property
η	0.0004779	Pa×s	551.77	Calculated Property
η	0.0004117	Pa×s	572.47	Calculated Property
η	0.0003584	Pa×s	593.16	Calculated Property
η	0.0003149	Pa×s	613.86	Calculated Property

Similar Compounds

Find more compounds similar to 9H-Fluoren-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
• Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
• Experimental and Computational Study of the Thermodynamic Properties of 9-Fluorenone and 9-Fluorenol
• Joback Method
• McGowan Method
• NIST Webbook

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