Chemical Properties of 9H-Fluorene, 9-(1-methylethyl)- (CAS 3299-99-8)

InChI

InChI=1S/C16H16/c1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-11,16H,1-2H3

InChI Key

HOJPTYYFGWUDJX-UHFFFAOYSA-N

Formula

C16H16

SMILES

CC(C)C1c2ccccc2-c2ccccc21

Molecular Weight¹

208.30

CAS

3299-99-8

Other Names

• 9-(1-Methylethyl)-9H-fluorene
• 9-Isopropylfluorene
• Fluorene, 9-isopropyl-
• 9-Isopropyl-9H-fluorene

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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	121.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.31	kJ/mol	Joback Calculated Property
ΔvapH°	80.09	kJ/mol	Relay (1.0) Calculated Property
IE	8.10	eV	Relay (1.0) Calculated Property
logPoct/wat	4.455		Crippen Calculated Property
McVol	177.920	ml/mol	McGowan Calculated Property
Inp	[274.00; 276.40]
Inp	274.00		NIST
Inp	276.40		NIST
Tfus	342.85	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[221.52; 578.37]	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			-9.25500e+01
Coefficient B			1.42304e+00
Coefficient C			-1.09112e-03
Coefficient D			3.39000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	221.52	J/mol×K	273.00	Calculated Property
Cp,gas	289.34	J/mol×K	353.78	Calculated Property
Cp,gas	347.61	J/mol×K	434.56	Calculated Property
Cp,gas	397.42	J/mol×K	515.33	Calculated Property
Cp,gas	439.82	J/mol×K	596.11	Calculated Property
Cp,gas	475.90	J/mol×K	676.89	Calculated Property
Cp,gas	506.72	J/mol×K	757.67	Calculated Property
Cp,gas	533.36	J/mol×K	838.44	Calculated Property
Cp,gas	556.88	J/mol×K	919.22	Calculated Property
Cp,gas	578.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016916; 0.0006221]	Pa×s	[357.94; 605.10]	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			-8.83100e+00
Coefficient B			8.76560e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			357.94
Temperature range, max.			605.10
η	0.0016916	Pa×s	357.94	Calculated Property
η	0.0014207	Pa×s	385.40	Calculated Property
η	0.0012212	Pa×s	412.86	Calculated Property
η	0.0010698	Pa×s	440.33	Calculated Property
η	0.0009518	Pa×s	467.79	Calculated Property
η	0.0008579	Pa×s	495.25	Calculated Property
η	0.0007817	Pa×s	522.71	Calculated Property
η	0.0007189	Pa×s	550.18	Calculated Property
η	0.0006665	Pa×s	577.64	Calculated Property
η	0.0006221	Pa×s	605.10	Calculated Property

Similar Compounds

Find more compounds similar to 9H-Fluorene, 9-(1-methylethyl)-.

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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