Chemical Properties of Phenanthrene, 1,6-difluoro

InChI

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

InChI Key

HTCGMDUSNVJBPQ-UHFFFAOYSA-N

Formula

C14H8F2

SMILES

Fc1ccc2ccc3c(F)cccc3c2c1

Molecular Weight¹

214.21

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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
ΔfH°gas	-155.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.09	kJ/mol	Joback Calculated Property
ΔvapH°	81.57	kJ/mol	Relay (1.0) Calculated Property
IE	8.07	eV	Relay (1.0) Calculated Property
log10WS	-5.71		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	[294.59; 1715.00]
Inp	1712.00		NIST
Inp	1715.00		NIST
Inp	294.59		NIST
Inp	295.04		NIST
Inp	1712.00		NIST
Inp	294.59		NIST
I	[291.80; 291.80]
I	291.80		NIST
I	291.80		NIST
Tboil	609.74	K	Relay (1.0) Calculated Property
Tc	876.98	K	Relay (1.0) Calculated Property
Tfus	360.20	K	Relay (1.0) Calculated Property
Vc	0.572	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor 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
Cp,gas	[349.04; 412.78]	J/mol×K	[598.04; 829.01]
Cp,gas	349.04	J/mol×K	598.04	Joback Calculated Property
Cp,gas	361.87	J/mol×K	636.54	Joback Calculated Property
Cp,gas	373.68	J/mol×K	675.03	Joback Calculated Property
Cp,gas	384.59	J/mol×K	713.53	Joback Calculated Property
Cp,gas	394.67	J/mol×K	752.02	Joback Calculated Property
Cp,gas	404.04	J/mol×K	790.52	Joback Calculated Property
Cp,gas	412.78	J/mol×K	829.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenanthrene, 1,6-difluoro.

Sources

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

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