Chemical Properties of 9H-Fluorene, 9-methyl- (CAS 2523-37-7)

InChI

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

InChI Key

ZVEJRZRAUYJYCO-UHFFFAOYSA-N

Formula

C14H12

SMILES

CC1c2ccccc2-c2ccccc21

Molecular Weight¹

180.25

CAS

2523-37-7

Other Names

• Fluorene, 9-methyl-
• 9-Methylfluorene
• 9-Methyl-9H-fluorene

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : 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
ΔcH°solid	-7289.36	kJ/mol	NIST
ΔfH°gas	148.00 ± 1.10	kJ/mol	NIST
ΔfH°solid	65.30 ± 1.00	kJ/mol	NIST
ΔfusH°	21.66	kJ/mol	Joback Calculated Property
ΔsubH°	[82.70; 83.70]	kJ/mol
ΔsubH°	83.70 ± 0.60	kJ/mol	NIST
ΔsubH°	82.77	kJ/mol	NIST
ΔsubH°	82.70	kJ/mol	NIST
ΔsubH°	82.80 ± 0.30	kJ/mol	NIST
ΔvapH°	[66.50; 71.30]	kJ/mol
ΔvapH°	70.60 ± 0.30	kJ/mol	NIST
ΔvapH°	71.30 ± 0.20	kJ/mol	NIST
ΔvapH°	66.50	kJ/mol	NIST
IE	7.95	eV	Relay (1.0) Calculated Property
logPoct/wat	3.819		Crippen Calculated Property
McVol	149.740	ml/mol	McGowan Calculated Property
Inp	[271.40; 1600.00]
Inp	Outlier 1579.00		NIST
Inp	Outlier 1600.00		NIST
Inp	Outlier 1579.00		NIST
Inp	273.49		NIST
Inp	272.90		NIST
Inp	272.51		NIST
Inp	273.90		NIST
Inp	273.79		NIST
Inp	272.38		NIST
Inp	273.90		NIST
Inp	271.50		NIST
Inp	272.38		NIST
Inp	273.50		NIST
Inp	273.80		NIST
Inp	271.72		NIST
Inp	272.38		NIST
Inp	271.40		NIST
Inp	272.38		NIST
Inp	273.90		NIST
Inp	271.72		NIST
I	[2466.00; 2466.00]
I	2466.00		NIST
I	2466.00		NIST
I	2466.00		NIST
Tfus	340.30	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[16.32; 16.32]	kJ/mol	[319.20; 319.20]
ΔfusH	16.32	kJ/mol	319.20	NIST
ΔfusH	16.32	kJ/mol	319.20	NIST
ΔsubH	82.80 ± 0.30	kJ/mol	338.00	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[179.40; 474.65]	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			-8.90500e+01
Coefficient B			1.22712e+00
Coefficient C			-9.79120e-04
Coefficient D			3.15700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.40	J/mol×K	273.00	Calculated Property
Cp,gas	236.51	J/mol×K	353.78	Calculated Property
Cp,gas	285.21	J/mol×K	434.56	Calculated Property
Cp,gas	326.51	J/mol×K	515.33	Calculated Property
Cp,gas	361.39	J/mol×K	596.11	Calculated Property
Cp,gas	390.87	J/mol×K	676.89	Calculated Property
Cp,gas	415.94	J/mol×K	757.67	Calculated Property
Cp,gas	437.59	J/mol×K	838.44	Calculated Property
Cp,gas	456.83	J/mol×K	919.22	Calculated Property
Cp,gas	474.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013776; 0.0006648]	Pa×s	[350.40; 576.78]	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			-8.44366e+00
Coefficient B			6.50420e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			350.40
Temperature range, max.			576.78
η	0.0013776	Pa×s	350.40	Calculated Property
η	0.0012165	Pa×s	375.55	Calculated Property
η	0.0010912	Pa×s	400.71	Calculated Property
η	0.0009914	Pa×s	425.86	Calculated Property
η	0.0009105	Pa×s	451.02	Calculated Property
η	0.0008437	Pa×s	476.17	Calculated Property
η	0.0007878	Pa×s	501.32	Calculated Property
η	0.0007405	Pa×s	526.48	Calculated Property
η	0.0006999	Pa×s	551.63	Calculated Property
η	0.0006648	Pa×s	576.78	Calculated Property

Similar Compounds

Find more compounds similar to 9H-Fluorene, 9-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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.