Chemical Properties of 9H-Fluorene, 3-methyl- (CAS 2523-39-9)

InChI

InChI=1S/C14H12/c1-10-6-7-12-9-11-4-2-3-5-13(11)14(12)8-10/h2-8H,9H2,1H3

InChI Key

GVSRMRNALQEEEI-UHFFFAOYSA-N

Formula

C14H12

SMILES

Cc1ccc2c(c1)-c1ccccc1C2

Molecular Weight¹

180.25

CAS

2523-39-9

Other Names

• 3-Methylfluorene
• 3-methyl-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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (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	171.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.20	kJ/mol	Joback Calculated Property
ΔvapH°	76.61	kJ/mol	Relay (1.0) Calculated Property
IE	7.86	eV	Relay (1.0) Calculated Property
log10WS	-5.37		Relay (1.0) Calculated Property
logPoct/wat	3.566		Crippen Calculated Property
McVol	149.740	ml/mol	McGowan Calculated Property
Inp	[286.90; 1718.80]
Inp	1690.00		NIST
Inp	1698.20		NIST
Inp	1718.80		NIST
Inp	1690.00		NIST
Inp	286.90		NIST
Inp	293.00		NIST
Inp	286.90		NIST
Inp	1698.20		NIST
Tboil	596.03	K	Relay (1.0) Calculated Property
Tc	834.26	K	Relay (1.0) Calculated Property
Tfus	340.57	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[179.69; 464.95]	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			-8.06900e+01
Coefficient B			1.19412e+00
Coefficient C			-9.67480e-04
Coefficient D			3.19000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.69	J/mol×K	273.00	Calculated Property
Cp,gas	234.80	J/mol×K	353.78	Calculated Property
Cp,gas	281.70	J/mol×K	434.56	Calculated Property
Cp,gas	321.40	J/mol×K	515.33	Calculated Property
Cp,gas	354.92	J/mol×K	596.11	Calculated Property
Cp,gas	383.25	J/mol×K	676.89	Calculated Property
Cp,gas	407.41	J/mol×K	757.67	Calculated Property
Cp,gas	428.41	J/mol×K	838.44	Calculated Property
Cp,gas	447.25	J/mol×K	919.22	Calculated Property
Cp,gas	464.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013988; 0.0005937]	Pa×s	[367.16; 584.22]	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			-8.87866e+00
Coefficient B			8.46850e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			367.16
Temperature range, max.			584.22
η	0.0013988	Pa×s	367.16	Calculated Property
η	0.0012134	Pa×s	391.28	Calculated Property
η	0.0010701	Pa×s	415.39	Calculated Property
η	0.0009569	Pa×s	439.51	Calculated Property
η	0.0008656	Pa×s	463.63	Calculated Property
η	0.0007908	Pa×s	487.75	Calculated Property
η	0.0007287	Pa×s	511.86	Calculated Property
η	0.0006764	Pa×s	535.98	Calculated Property
η	0.0006320	Pa×s	560.10	Calculated Property
η	0.0005937	Pa×s	584.22	Calculated Property

Similar Compounds

Find more compounds similar to 9H-Fluorene, 3-methyl-.

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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