Chemical Properties of Phenanthrene, 3,6-difluoro

InChI

InChI=1S/C14H8F2/c15-11-5-3-9-1-2-10-4-6-12(16)8-14(10)13(9)7-11/h1-8H

InChI Key

YYXWAONYDSGVOU-UHFFFAOYSA-N

Formula

C14H8F2

SMILES

Fc1ccc2ccc3ccc(F)cc3c2c1

Molecular Weight¹

214.21

• 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	0.4772		Relay (1.0) Calculated Property
ΔfG°	-25.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-147.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.09	kJ/mol	Joback Calculated Property
ΔvapH°	81.54	kJ/mol	Relay (1.0) Calculated Property
IE	8.13	eV	Relay (1.0) Calculated Property
log10WS	-6.00		Relay (1.0) Calculated Property
logPoct/wat	4.271		Crippen Calculated Property
McVol	148.980	ml/mol	McGowan Calculated Property
Pc	2841.41	kPa	Joback Calculated Property
Inp	[294.34; 1737.00]
Inp	1737.00		NIST
Inp	1711.00		NIST
Inp	298.87		NIST
Inp	294.34		NIST
I	294.92		NIST
Tboil	612.74	K	Relay (1.0) Calculated Property
Tc	870.90	K	Relay (1.0) Calculated Property
Tfus	405.93	K	Relay (1.0) Calculated Property
Vc	0.572	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[348.97; 412.72]	J/mol×K	[597.84; 828.74]
Cp,gas	348.97	J/mol×K	597.84	Joback Calculated Property
Cp,gas	361.80	J/mol×K	636.32	Joback Calculated Property
Cp,gas	373.62	J/mol×K	674.81	Joback Calculated Property
Cp,gas	384.52	J/mol×K	713.29	Joback Calculated Property
Cp,gas	394.61	J/mol×K	751.77	Joback Calculated Property
Cp,gas	403.98	J/mol×K	790.25	Joback Calculated Property
Cp,gas	412.72	J/mol×K	828.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenanthrene, 3,6-difluoro.

Sources

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

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