Chemical Properties of 9-Ethylfluorene (CAS 2294-82-8)

InChI

InChI=1S/C15H14/c1-2-11-12-7-3-5-9-14(12)15-10-6-4-8-13(11)15/h3-11H,2H2,1H3

InChI Key

QBBCCEYJCKGWIK-UHFFFAOYSA-N

Formula

C15H14

SMILES

CCC1c2ccccc2-c2ccccc21

Molecular Weight¹

194.27

CAS

2294-82-8

Other Names

• 9-ethyl-9H-fluorene
• 9H-Fluorene, 9-ethyl-

• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	142.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.25	kJ/mol	Joback Calculated Property
ΔvapH°	75.88	kJ/mol	Relay (1.0) Calculated Property
IE	8.02	eV	Relay (1.0) Calculated Property
logPoct/wat	4.209		Crippen Calculated Property
McVol	163.830	ml/mol	McGowan Calculated Property
Inp	[284.99; 1674.00]
Inp	1674.00		NIST
Inp	284.99		NIST
Inp	284.99		NIST
Inp	284.99		NIST
Inp	1674.00		NIST
Tfus	334.48	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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[200.62; 526.24]	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			-8.99590e+01
Coefficient B			1.32212e+00
Coefficient C			-1.03352e-03
Coefficient D			3.27600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	200.62	J/mol×K	273.00	Calculated Property
Cp,gas	262.93	J/mol×K	353.78	Calculated Property
Cp,gas	316.29	J/mol×K	434.56	Calculated Property
Cp,gas	361.74	J/mol×K	515.33	Calculated Property
Cp,gas	400.31	J/mol×K	596.11	Calculated Property
Cp,gas	433.03	J/mol×K	676.89	Calculated Property
Cp,gas	460.95	J/mol×K	757.67	Calculated Property
Cp,gas	485.10	J/mol×K	838.44	Calculated Property
Cp,gas	506.52	J/mol×K	919.22	Calculated Property
Cp,gas	526.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014900; 0.0006728]	Pa×s	[361.67; 589.26]	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			-8.56772e+00
Coefficient B			7.44580e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			361.67
Temperature range, max.			589.26
η	0.0014900	Pa×s	361.67	Calculated Property
η	0.0013024	Pa×s	386.96	Calculated Property
η	0.0011574	Pa×s	412.24	Calculated Property
η	0.0010427	Pa×s	437.53	Calculated Property
η	0.0009501	Pa×s	462.82	Calculated Property
η	0.0008741	Pa×s	488.11	Calculated Property
η	0.0008109	Pa×s	513.39	Calculated Property
η	0.0007575	Pa×s	538.68	Calculated Property
η	0.0007120	Pa×s	563.97	Calculated Property
η	0.0006728	Pa×s	589.26	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[379.92; 675.91]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.02879e+01
Coefficient B			-2.93205e+03
Coefficient C			-8.67250e+01
Temperature range, min.			379.92
Temperature range, max.			675.91
Pvap	1.33	kPa	379.92	Calculated Property
Pvap	3.66	kPa	412.81	Calculated Property
Pvap	8.33	kPa	445.70	Calculated Property
Pvap	16.54	kPa	478.58	Calculated Property
Pvap	29.51	kPa	511.47	Calculated Property
Pvap	48.47	kPa	544.36	Calculated Property
Pvap	74.48	kPa	577.25	Calculated Property
Pvap	108.43	kPa	610.13	Calculated Property
Pvap	151.00	kPa	643.02	Calculated Property
Pvap	202.65	kPa	675.91	Calculated Property

Similar Compounds

Find more compounds similar to 9-Ethylfluorene.

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
• The Yaws Handbook of Vapor Pressure

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