Chemical Properties of 3-Chloro-2-fluorobenzoic acid, 4-isopropylphenyl ester

InChI

InChI=1S/C16H14ClFO2/c1-10(2)11-6-8-12(9-7-11)20-16(19)13-4-3-5-14(17)15(13)18/h3-10H,1-2H3

InChI Key

KKWCTQWJMJGYFU-UHFFFAOYSA-N

Formula

C16H14ClFO2

SMILES

CC(C)c1ccc(OC(=O)c2cccc(Cl)c2F)cc1

Molecular Weight¹

292.73

• 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°	-163.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-396.85	kJ/mol	Joback Calculated Property
ΔfusH°	30.65	kJ/mol	Joback Calculated Property
ΔvapH°	70.08	kJ/mol	Joback Calculated Property
log10WS	-5.76		Crippen Calculated Property
logPoct/wat	4.822		Crippen Calculated Property
McVol	210.230	ml/mol	McGowan Calculated Property
Pc	2133.46	kPa	Joback Calculated Property
Inp	[2184.00; 2184.00]
Inp	2184.00		NIST
Inp	2184.00		NIST
Tboil	746.33	K	Joback Calculated Property
Tc	978.53	K	Joback Calculated Property
Tfus	448.15	K	Joback Calculated Property
Vc	0.800	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[549.74; 617.54]	J/mol×K	[746.33; 978.53]
Cp,gas	549.74	J/mol×K	746.33	Joback Calculated Property
Cp,gas	563.68	J/mol×K	785.03	Joback Calculated Property
Cp,gas	576.52	J/mol×K	823.73	Joback Calculated Property
Cp,gas	588.28	J/mol×K	862.43	Joback Calculated Property
Cp,gas	599.02	J/mol×K	901.13	Joback Calculated Property
Cp,gas	608.76	J/mol×K	939.83	Joback Calculated Property
Cp,gas	617.54	J/mol×K	978.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, 4-isopropylphenyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.