Chemical Properties of 2,5-Di(trifluoromethyl)benzoic acid, nonadecyl ester

InChI

InChI=1S/C28H42F6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-36-26(35)24-22-23(27(29,30)31)19-20-25(24)28(32,33)34/h19-20,22H,2-18,21H2,1H3

InChI Key

IKPCTGOLZBVXMQ-UHFFFAOYSA-N

Formula

C28H42F6O2

SMILES

CCCCCCCCCCCCCCCCCCCOC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F

Molecular Weight¹

524.62

• 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°	-1119.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-1846.62	kJ/mol	Joback Calculated Property
ΔfusH°	67.98	kJ/mol	Joback Calculated Property
ΔvapH°	83.18	kJ/mol	Joback Calculated Property
log10WS	-11.46		Crippen Calculated Property
logPoct/wat	10.533		Crippen Calculated Property
McVol	399.680	ml/mol	McGowan Calculated Property
Pc	695.81	kPa	Joback Calculated Property
Inp	[2703.00; 2703.00]
Inp	2703.00		NIST
Inp	2703.00		NIST
Tboil	942.13	K	Joback Calculated Property
Tc	1161.24	K	Joback Calculated Property
Tfus	537.32	K	Joback Calculated Property
Vc	1.605	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1360.78; 1464.28]	J/mol×K	[942.13; 1161.24]
Cp,gas	1360.78	J/mol×K	942.13	Joback Calculated Property
Cp,gas	1380.97	J/mol×K	978.65	Joback Calculated Property
Cp,gas	1399.82	J/mol×K	1015.17	Joback Calculated Property
Cp,gas	1417.46	J/mol×K	1051.68	Joback Calculated Property
Cp,gas	1434.01	J/mol×K	1088.20	Joback Calculated Property
Cp,gas	1449.57	J/mol×K	1124.72	Joback Calculated Property
Cp,gas	1464.28	J/mol×K	1161.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, nonadecyl ester.

Sources

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

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