Chemical Properties of 9H-Fluorene, 1-methyl- (CAS 1730-37-6)

InChI

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

InChI Key

GKEUODMJRFDLJY-UHFFFAOYSA-N

Formula

C14H12

SMILES

Cc1cccc2c1Cc1ccccc1-2

Molecular Weight¹

180.25

CAS

1730-37-6

Other Names

• 1-methyl-9H-fluorene
• 1-methylfluorene
• Fluorene, 1-methyl-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : 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
ω	0.4547		Relay (1.0) Calculated Property
ΔfG°	355.59	kJ/mol	Joback Calculated Property
ΔfH°gas	178.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.20	kJ/mol	Joback Calculated Property
ΔsubH°	91.20 ± 0.40	kJ/mol	NIST
ΔvapH°	[77.20; 78.70]	kJ/mol
ΔvapH°	77.20 ± 3.60	kJ/mol	NIST
ΔvapH°	78.70 ± 0.70	kJ/mol	NIST
IE	7.87	eV	Relay (1.0) Calculated Property
log10WS	[-5.22; -5.22]
log10WS	-5.22		Aq. Solubility Prediction
log10WS	-5.22		Estimated Solubility
logPoct/wat	3.566		Crippen Calculated Property
McVol	149.740	ml/mol	McGowan Calculated Property
Pc	2979.54	kPa	Joback Calculated Property
Inp	[287.70; 1719.00]
Inp	1680.00		NIST
Inp	1698.20		NIST
Inp	1718.80		NIST
Inp	1719.00		NIST
Inp	1679.00		NIST
Inp	1677.00		NIST
Inp	1685.00		NIST
Inp	1706.00		NIST
Inp	288.57		NIST
Inp	290.70		NIST
Inp	289.03		NIST
Inp	288.70		NIST
Inp	289.27		NIST
Inp	290.45		NIST
Inp	289.07		NIST
Inp	287.70		NIST
Inp	290.39		NIST
Inp	289.50		NIST
Inp	289.31		NIST
Inp	288.80		NIST
Inp	289.14		NIST
Inp	289.49		NIST
Inp	289.20		NIST
Inp	289.03		NIST
Inp	289.24		NIST
Inp	289.14		NIST
Inp	289.24		NIST
Inp	289.30		NIST
Inp	290.20		NIST
Inp	288.70		NIST
Inp	289.00		NIST
Inp	288.70		NIST
Inp	289.03		NIST
Inp	289.20		NIST
Inp	289.30		NIST
Inp	289.03		NIST
Inp	290.55		NIST
Inp	1698.20		NIST
Inp	1680.00		NIST
I	[2406.00; 2475.00]
I	2475.00		NIST
I	2406.00		NIST
I	2406.00		NIST
Tboil	593.08	K	Relay (1.0) Calculated Property
Tc	838.23	K	Relay (1.0) Calculated Property
Tfus	334.30	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	71.10	kJ/mol	398.00	NIST
Pvap	[1.40e-04; 13.27]	kPa	[298.15; 510.00]
Pvap	1.40e-04	kPa	298.15	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.69e-04	kPa	300.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	4.60e-04	kPa	310.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.16e-03	kPa	320.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.72e-03	kPa	330.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	6.01e-03	kPa	340.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.01	kPa	350.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.02	kPa	360.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.05	kPa	370.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.08	kPa	380.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.15	kPa	390.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.25	kPa	400.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.40	kPa	410.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.63	kPa	420.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.97	kPa	430.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.44	kPa	440.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.10	kPa	450.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.99	kPa	460.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	4.17	kPa	470.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	5.72	kPa	480.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	7.69	kPa	490.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	10.18	kPa	500.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	13.27	kPa	510.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons

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

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[416.19; 631.98]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.26883e+01
Coefficient B			-3.92926e+03
Coefficient C			-9.93270e+01
Temperature range, min.			416.19
Temperature range, max.			631.98
Pvap	1.33	kPa	416.19	Calculated Property
Pvap	3.19	kPa	440.17	Calculated Property
Pvap	6.81	kPa	464.14	Calculated Property
Pvap	13.22	kPa	488.12	Calculated Property
Pvap	23.78	kPa	512.10	Calculated Property
Pvap	40.11	kPa	536.07	Calculated Property
Pvap	64.06	kPa	560.05	Calculated Property
Pvap	97.68	kPa	584.03	Calculated Property
Pvap	143.13	kPa	608.00	Calculated Property
Pvap	202.65	kPa	631.98	Calculated Property

Similar Compounds

Find more compounds similar to 9H-Fluorene, 1-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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