Chemical Properties of Naphthalene, 1-fluoro- (CAS 321-38-0)

InChI

InChI=1S/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H

InChI Key

CWLKTJOTWITYSI-UHFFFAOYSA-N

Formula

C10H7F

SMILES

Fc1cccc2ccccc12

Molecular Weight¹

146.16

CAS

321-38-0

Other Names

• 1-Fluornaftalen
• 1-Fluoronaphthalene
• ALPHA-FLUORONAPHTHALENE
• «alpha»-Fluoronaphthalene

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_boilr : Boiling point at reduced pressure (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	0.3369		Relay (1.0) Calculated Property
ΔcH°liquid	-5096.00 ± 92.00	kJ/mol	NIST
ΔfG°	47.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-60.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.41	kJ/mol	Joback Calculated Property
ΔvapH°	56.84	kJ/mol	Relay (1.0) Calculated Property
IE	8.15	eV	NIST
log10WS	-3.38		Relay (1.0) Calculated Property
logPoct/wat	2.979		Crippen Calculated Property
McVol	110.310	ml/mol	McGowan Calculated Property
Pc	3620.24	kPa	Joback Calculated Property
Inp	[200.11; 1208.00]
Inp	1208.00		NIST
Inp	1207.00		NIST
Inp	1162.50		NIST
Inp	1164.00		NIST
Inp	1165.00		NIST
Inp	200.11		NIST
Inp	200.19		NIST
Inp	1208.00		NIST
Inp	200.11		NIST
I	[198.43; 1715.00]
I	1715.00		NIST
I	198.43		NIST
I	198.43		NIST
Tboil	[488.20; 489.00]	K
Tboil	488.20	K	NIST
Tboil	489.00 ± 1.00	K	NIST
Tc	753.29	K	Relay (1.0) Calculated Property
Tfus	282.30	K	Relay (1.0) Calculated Property
Vc	0.418	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[130.11; 329.96]	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			-5.11600e+01
Coefficient B			8.23500e-01
Coefficient C			-6.37480e-04
Coefficient D			1.95100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	130.11	J/mol×K	273.00	Calculated Property
Cp,gas	169.03	J/mol×K	353.78	Calculated Property
Cp,gas	202.33	J/mol×K	434.56	Calculated Property
Cp,gas	230.62	J/mol×K	515.33	Calculated Property
Cp,gas	254.54	J/mol×K	596.11	Calculated Property
Cp,gas	274.69	J/mol×K	676.89	Calculated Property
Cp,gas	291.69	J/mol×K	757.67	Calculated Property
Cp,gas	306.15	J/mol×K	838.44	Calculated Property
Cp,gas	318.71	J/mol×K	919.22	Calculated Property
Cp,gas	329.96	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 1-fluoro-.

Sources

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

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