Chemical Properties of 2,6-Difluoro-3-methylbenzoic acid, 3-pentadecyl ester

InChI

InChI=1S/C23H36F2O2/c1-4-6-7-8-9-10-11-12-13-14-15-19(5-2)27-23(26)21-20(24)17-16-18(3)22(21)25/h16-17,19H,4-15H2,1-3H3

InChI Key

PXRABPPVXNXSJY-UHFFFAOYSA-N

Formula

C23H36F2O2

SMILES

CCCCCCCCCCCCC(CC)OC(=O)c1c(F)ccc(C)c1F

Molecular Weight¹

382.53

• 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°	-399.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-958.23	kJ/mol	Joback Calculated Property
ΔfusH°	53.62	kJ/mol	Joback Calculated Property
ΔvapH°	78.19	kJ/mol	Joback Calculated Property
log10WS	-8.83		Crippen Calculated Property
logPoct/wat	7.520		Crippen Calculated Property
McVol	322.150	ml/mol	McGowan Calculated Property
Pc	991.38	kPa	Joback Calculated Property
Inp	[2515.00; 2515.00]
Inp	2515.00		NIST
Inp	2515.00		NIST
Tboil	841.65	K	Joback Calculated Property
Tc	1033.14	K	Joback Calculated Property
Tfus	471.29	K	Joback Calculated Property
Vc	1.270	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1020.79; 1113.95]	J/mol×K	[841.65; 1033.14]
Cp,gas	1020.79	J/mol×K	841.65	Joback Calculated Property
Cp,gas	1038.98	J/mol×K	873.56	Joback Calculated Property
Cp,gas	1056.07	J/mol×K	905.48	Joback Calculated Property
Cp,gas	1072.08	J/mol×K	937.39	Joback Calculated Property
Cp,gas	1087.04	J/mol×K	969.31	Joback Calculated Property
Cp,gas	1100.99	J/mol×K	1001.22	Joback Calculated Property
Cp,gas	1113.95	J/mol×K	1033.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, 3-pentadecyl ester.

Sources

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

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