Chemical Properties of 2,5-Diamino-2'-fluorobenzophenone (CAS 67739-74-6)

InChI

InChI=1S/C13H11FN2O/c14-11-4-2-1-3-9(11)13(17)10-7-8(15)5-6-12(10)16/h1-7H,15-16H2

InChI Key

OKCCYEPCUCOYDR-UHFFFAOYSA-N

Formula

C13H11FN2O

SMILES

Nc1ccc(N)c(C(=O)c2ccccc2F)c1

Molecular Weight¹

230.24

CAS

67739-74-6

Other Names

• 2,5-Diamino-2'-fluor-benzophenone
• Benzophenone, 2,5-diamino-2'-fluoro

• 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.
• 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	0.6945		Relay (1.0) Calculated Property
ΔfG°	63.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-164.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.41	kJ/mol	Joback Calculated Property
ΔvapH°	100.76	kJ/mol	Relay (1.0) Calculated Property
IE	7.78	eV	Relay (1.0) Calculated Property
log10WS	-3.37		Relay (1.0) Calculated Property
logPoct/wat	2.221		Crippen Calculated Property
McVol	169.810	ml/mol	McGowan Calculated Property
Pc	3392.03	kPa	Joback Calculated Property
Inp	[2152.00; 2188.00]
Inp	2152.00		NIST
Inp	2188.00		NIST
Inp	2188.00		NIST
Inp	2152.00		NIST
Tboil	639.52	K	Relay (1.0) Calculated Property
Tc	943.70	K	Relay (1.0) Calculated Property
Tfus	407.67	K	Relay (1.0) Calculated Property
Vc	0.596	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[458.57; 514.48]	J/mol×K	[763.34; 1016.00]
Cp,gas	458.57	J/mol×K	763.34	Joback Calculated Property
Cp,gas	470.29	J/mol×K	805.45	Joback Calculated Property
Cp,gas	480.97	J/mol×K	847.56	Joback Calculated Property
Cp,gas	490.67	J/mol×K	889.67	Joback Calculated Property
Cp,gas	499.45	J/mol×K	931.78	Joback Calculated Property
Cp,gas	507.37	J/mol×K	973.89	Joback Calculated Property
Cp,gas	514.48	J/mol×K	1016.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Diamino-2'-fluorobenzophenone.

Sources

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

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