Chemical Properties of Fluorene-9-methanol

InChI

InChI=1S/C14H12O/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14-15H,9H2

InChI Key

XXSCONYSQQLHTH-UHFFFAOYSA-N

Formula

C14H12O

SMILES

OCC1c2ccccc2-c2ccccc21

Molecular Weight¹

196.25

Other Names

• (fluoren-9-yl)methanol
• 9-(hydroxymethyl)fluorene
• 9-Fluorenylmethanol
• 9-fluorenemethanol
• 9H-Fluorene-9-methanol

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ρ_s : Solid Density (kg/m³).
• I_np : Non-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	4.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.27	kJ/mol	Low-temperature heat capacity and standard molar enthalpy of formation of 9-fluorenemethanol (C14H12O)
ΔvapH°	95.46	kJ/mol	Relay (1.0) Calculated Property
IE	8.20	eV	Relay (1.0) Calculated Property
logPoct/wat	2.791		Crippen Calculated Property
McVol	155.610	ml/mol	McGowan Calculated Property
Inp	[277.30; 277.30]
Inp	277.30		NIST
Inp	277.30		NIST
Tfus	394.72	K	Relay (1.0) Calculated Property

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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[191.91; 493.32]	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			-8.37590e+01
Coefficient B			1.26110e+00
Coefficient C			-1.00952e-03
Coefficient D			3.25500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	191.91	J/mol×K	273.00	Calculated Property
Cp,gas	250.45	J/mol×K	353.78	Calculated Property
Cp,gas	300.33	J/mol×K	434.56	Calculated Property
Cp,gas	342.58	J/mol×K	515.33	Calculated Property
Cp,gas	378.22	J/mol×K	596.11	Calculated Property
Cp,gas	408.27	J/mol×K	676.89	Calculated Property
Cp,gas	433.79	J/mol×K	757.67	Calculated Property
Cp,gas	455.78	J/mol×K	838.44	Calculated Property
Cp,gas	475.28	J/mol×K	919.22	Calculated Property
Cp,gas	493.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021717; 0.0002988]	Pa×s	[411.22; 627.01]	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			-1.18956e+01
Coefficient B			2.37001e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			411.22
Temperature range, max.			627.01
η	0.0021717	Pa×s	411.22	Calculated Property
η	0.0015809	Pa×s	435.20	Calculated Property
η	0.0011896	Pa×s	459.17	Calculated Property
η	0.0009208	Pa×s	483.15	Calculated Property
η	0.0007302	Pa×s	507.13	Calculated Property
η	0.0005913	Pa×s	531.10	Calculated Property
η	0.0004876	Pa×s	555.08	Calculated Property
η	0.0004086	Pa×s	579.06	Calculated Property
η	0.0003472	Pa×s	603.03	Calculated Property
η	0.0002988	Pa×s	627.01	Calculated Property

Similar Compounds

Find more compounds similar to Fluorene-9-methanol.

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
• Low-temperature heat capacity and standard molar enthalpy of formation of 9-fluorenemethanol (C14H12O)
• A combined experimental and computational thermodynamic study of fluorene-9-methanol and fluorene-9-carboxylic acid
• Joback Method
• McGowan Method
• NIST Webbook

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