Chemical Properties of 1-Naphthaleneacetic acid, 2-chloro-6-fluorophenyl ester

InChI

InChI=1S/C18H12ClFO2/c19-15-9-4-10-16(20)18(15)22-17(21)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2

InChI Key

UGLDIXOMFHNHGZ-UHFFFAOYSA-N

Formula

C18H12ClFO2

SMILES

O=C(Cc1cccc2ccccc12)Oc1c(F)cccc1Cl

Molecular Weight¹

314.74

• 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).
• 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
ΔfG°	-37.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-241.78	kJ/mol	Joback Calculated Property
ΔfusH°	36.37	kJ/mol	Joback Calculated Property
ΔvapH°	76.56	kJ/mol	Joback Calculated Property
log10WS	-6.22		Crippen Calculated Property
logPoct/wat	4.780		Crippen Calculated Property
McVol	218.950	ml/mol	McGowan Calculated Property
Pc	2224.99	kPa	Joback Calculated Property
Inp	[2981.00; 2981.00]
Inp	2981.00		NIST
Inp	2981.00		NIST
Tboil	811.51	K	Joback Calculated Property
Tc	1055.73	K	Joback Calculated Property
Tfus	518.39	K	Joback Calculated Property
Vc	0.841	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[584.11; 645.11]	J/mol×K	[811.51; 1055.73]
Cp,gas	584.11	J/mol×K	811.51	Joback Calculated Property
Cp,gas	596.65	J/mol×K	852.21	Joback Calculated Property
Cp,gas	608.13	J/mol×K	892.92	Joback Calculated Property
Cp,gas	618.63	J/mol×K	933.62	Joback Calculated Property
Cp,gas	628.23	J/mol×K	974.33	Joback Calculated Property
Cp,gas	637.03	J/mol×K	1015.03	Joback Calculated Property
Cp,gas	645.11	J/mol×K	1055.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthaleneacetic acid, 2-chloro-6-fluorophenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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