Chemical Properties of 3-Chloro2-fluorobenzoic acid, 5-tetradecyl ester

InChI

InChI=1S/C21H32ClFO2/c1-3-5-7-8-9-10-11-14-17(13-6-4-2)25-21(24)18-15-12-16-19(22)20(18)23/h12,15-17H,3-11,13-14H2,1-2H3

InChI Key

VMJQOEAENSHLNT-UHFFFAOYSA-N

Formula

C21H32ClFO2

SMILES

CCCCCCCCCC(CCCC)OC(=O)c1cccc(Cl)c1F

Molecular Weight¹

370.93

• 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°	-224.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-725.11	kJ/mol	Joback Calculated Property
ΔfusH°	49.95	kJ/mol	Joback Calculated Property
ΔvapH°	78.28	kJ/mol	Joback Calculated Property
log10WS	-8.28		Crippen Calculated Property
logPoct/wat	7.335		Crippen Calculated Property
McVol	304.440	ml/mol	McGowan Calculated Property
Pc	1140.57	kPa	Joback Calculated Property
Inp	[2457.00; 2457.00]
Inp	2457.00		NIST
Inp	2457.00		NIST
Tboil	829.07	K	Joback Calculated Property
Tc	1024.31	K	Joback Calculated Property
Tfus	465.56	K	Joback Calculated Property
Vc	1.188	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[923.79; 1010.42]	J/mol×K	[829.07; 1024.31]
Cp,gas	923.79	J/mol×K	829.07	Joback Calculated Property
Cp,gas	940.76	J/mol×K	861.61	Joback Calculated Property
Cp,gas	956.68	J/mol×K	894.15	Joback Calculated Property
Cp,gas	971.57	J/mol×K	926.69	Joback Calculated Property
Cp,gas	985.47	J/mol×K	959.23	Joback Calculated Property
Cp,gas	998.41	J/mol×K	991.77	Joback Calculated Property
Cp,gas	1010.42	J/mol×K	1024.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Chloro2-fluorobenzoic acid, 5-tetradecyl ester.

Sources

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

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