Chemical Properties of 4-Fluorobenzoic acid, 8-chlorooctyl ester

InChI

InChI=1S/C15H20ClFO2/c16-11-5-3-1-2-4-6-12-19-15(18)13-7-9-14(17)10-8-13/h7-10H,1-6,11-12H2

InChI Key

ZJUCYGIDNBMNTC-UHFFFAOYSA-N

Formula

C15H20ClFO2

SMILES

O=C(OCCCCCCCCCl)c1ccc(F)cc1

Molecular Weight¹

286.77

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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
ω	0.8117		Relay (1.0) Calculated Property
ΔfusH°	38.32	kJ/mol	Joback Calculated Property
log10WS	-5.71		Relay (1.0) Calculated Property
logPoct/wat	4.562		Crippen Calculated Property
McVol	219.900	ml/mol	McGowan Calculated Property
Pc	1768.38	kPa	Joback Calculated Property
Inp	[2116.00; 2116.00]
Inp	2116.00		NIST
Inp	2116.00		NIST
Tboil	595.77	K	Relay (1.0) Calculated Property
Tc	806.36	K	Relay (1.0) Calculated Property
Tfus	294.43	K	Relay (1.0) Calculated Property
Vc	0.813	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Ionization energy 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	[583.58; 660.82]	J/mol×K	[687.25; 881.81]
Cp,gas	583.58	J/mol×K	687.25	Joback Calculated Property
Cp,gas	598.51	J/mol×K	719.68	Joback Calculated Property
Cp,gas	612.59	J/mol×K	752.10	Joback Calculated Property
Cp,gas	625.83	J/mol×K	784.53	Joback Calculated Property
Cp,gas	638.27	J/mol×K	816.96	Joback Calculated Property
Cp,gas	649.93	J/mol×K	849.38	Joback Calculated Property
Cp,gas	660.82	J/mol×K	881.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Fluorobenzoic acid, 8-chlorooctyl ester.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.