Chemical Properties of 9,9'-Bi-9H-fluorene (CAS 1530-12-7)

InChI

InChI=1S/C26H18/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)26-23-15-7-3-11-19(23)20-12-4-8-16-24(20)26/h1-16,25-26H

InChI Key

QXAIDADUIMVTPS-UHFFFAOYSA-N

Formula

C26H18

SMILES

c1ccc2c(c1)-c1ccccc1C2C1c2ccccc2-c2ccccc21

Molecular Weight¹

330.42

CAS

1530-12-7

Other Names

• 9,9'-Bifluorene
• Bifluorenyl
• 9,9'-Bifluorenyl
• Bisfluorenyl

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-13001.79 ± 0.76	kJ/mol	NIST
ΔfH°gas	[330.10; 330.10]	kJ/mol
ΔfH°gas	330.10 ± 4.20	kJ/mol	NIST
ΔfH°gas	330.10 ± 2.30	kJ/mol	NIST
ΔfH°solid	[197.50; 197.50]	kJ/mol
ΔfH°solid	197.50 ± 3.50	kJ/mol	NIST
ΔfH°solid	197.50 ± 1.90	kJ/mol	NIST
ΔfusH°	42.37	kJ/mol	Joback Calculated Property
ΔsubH°	[132.60; 132.61]	kJ/mol
ΔsubH°	132.60 ± 2.30	kJ/mol	NIST
ΔsubH°	132.61	kJ/mol	NIST
ΔsubH°	132.60	kJ/mol	NIST
ΔsubH°	132.60 ± 1.10	kJ/mol	NIST
ΔvapH°	138.27	kJ/mol	Relay (1.0) Calculated Property
IE	7.69	eV	Relay (1.0) Calculated Property
logPoct/wat	6.611		Crippen Calculated Property
McVol	260.440	ml/mol	McGowan Calculated Property
Tfus	518.35 ± 1.00	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
ΔfusH	[36.90; 36.90]	kJ/mol	[519.20; 519.20]
ΔfusH	36.90	kJ/mol	519.20	NIST
ΔfusH	36.90	kJ/mol	519.20	NIST
ΔsubH	131.80 ± 1.10	kJ/mol	395.50	NIST
ΔvapH	95.70	kJ/mol	395.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[310.90; 826.79]	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			-1.79170e+02
Coefficient B			2.26040e+00
Coefficient C			-1.87324e-03
Coefficient D			6.18800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	310.90	J/mol×K	273.00	Calculated Property
Cp,gas	413.46	J/mol×K	353.78	Calculated Property
Cp,gas	500.14	J/mol×K	434.56	Calculated Property
Cp,gas	572.90	J/mol×K	515.33	Calculated Property
Cp,gas	633.71	J/mol×K	596.11	Calculated Property
Cp,gas	684.50	J/mol×K	676.89	Calculated Property
Cp,gas	727.25	J/mol×K	757.67	Calculated Property
Cp,gas	763.91	J/mol×K	838.44	Calculated Property
Cp,gas	796.44	J/mol×K	919.22	Calculated Property
Cp,gas	826.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0050507; 0.0028174]	Pa×s	[518.35; 832.33]	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			-6.83561e+00
Coefficient B			8.02080e+02
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.			518.35
Temperature range, max.			832.33
η	0.0050507	Pa×s	518.35	Calculated Property
η	0.0045811	Pa×s	553.24	Calculated Property
η	0.0042036	Pa×s	588.12	Calculated Property
η	0.0038946	Pa×s	623.01	Calculated Property
η	0.0036376	Pa×s	657.89	Calculated Property
η	0.0034210	Pa×s	692.78	Calculated Property
η	0.0032362	Pa×s	727.67	Calculated Property
η	0.0030771	Pa×s	762.55	Calculated Property
η	0.0029387	Pa×s	797.44	Calculated Property
η	0.0028174	Pa×s	832.33	Calculated Property

Similar Compounds

Find more compounds similar to 9,9'-Bi-9H-fluorene.

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
• Joback Method
• McGowan Method
• NIST Webbook

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