Chemical Properties of Phenanthrene, 1-fluoro

InChI

InChI=1S/C14H9F/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-9H

InChI Key

CNWURRWLFUQFDT-UHFFFAOYSA-N

Formula

C14H9F

SMILES

Fc1cccc2c1ccc1ccccc12

Molecular Weight¹

196.22

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_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).
• P_c : Critical 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4345		Relay (1.0) Calculated Property
ΔfG°	178.64	kJ/mol	Joback Calculated Property
ΔfH°gas	0.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.40	kJ/mol	Joback Calculated Property
ΔvapH°	79.80	kJ/mol	Relay (1.0) Calculated Property
IE	7.99	eV	Relay (1.0) Calculated Property
log10WS	-5.35		Relay (1.0) Calculated Property
logPoct/wat	4.132		Crippen Calculated Property
McVol	147.210	ml/mol	McGowan Calculated Property
Pc	3032.27	kPa	Joback Calculated Property
Inp	[298.36; 1735.00]
Inp	1734.00		NIST
Inp	1735.00		NIST
Inp	298.36		NIST
Inp	298.47		NIST
Inp	1734.00		NIST
I	294.92		NIST
Tboil	601.28	K	Relay (1.0) Calculated Property
Tc	879.57	K	Relay (1.0) Calculated Property
Tfus	350.48	K	Relay (1.0) Calculated Property
Vc	0.560	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[176.52; 442.50]	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			-7.19400e+01
Coefficient B			1.14030e+00
Coefficient C			-9.24760e-04
Coefficient D			2.98900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	176.52	J/mol×K	273.00	Calculated Property
Cp,gas	228.97	J/mol×K	353.78	Calculated Property
Cp,gas	273.48	J/mol×K	434.56	Calculated Property
Cp,gas	311.01	J/mol×K	515.33	Calculated Property
Cp,gas	342.51	J/mol×K	596.11	Calculated Property
Cp,gas	368.91	J/mol×K	676.89	Calculated Property
Cp,gas	391.17	J/mol×K	757.67	Calculated Property
Cp,gas	410.22	J/mol×K	838.44	Calculated Property
Cp,gas	427.02	J/mol×K	919.22	Calculated Property
Cp,gas	442.50	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenanthrene, 1-fluoro.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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