Chemical Properties of Phthalic acid, hexadecyl 4-trifluoromethoxybenzyl ester

InChI

InChI=1S/C32H43F3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-38-30(36)28-18-15-16-19-29(28)31(37)39-25-26-20-22-27(23-21-26)40-32(33,34)35/h15-16,18-23H,2-14,17,24-25H2,1H3

InChI Key

HIJNNZIMYJBWFF-UHFFFAOYSA-N

Formula

C32H43F3O5

SMILES

CCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1ccc(OC(F)(F)F)cc1

Molecular Weight¹

564.68

• 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°	-730.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-1472.59	kJ/mol	Joback Calculated Property
ΔfusH°	74.53	kJ/mol	Joback Calculated Property
ΔvapH°	109.68	kJ/mol	Joback Calculated Property
log10WS	-11.62		Crippen Calculated Property
logPoct/wat	9.580		Crippen Calculated Property
McVol	440.280	ml/mol	McGowan Calculated Property
Pc	730.86	kPa	Joback Calculated Property
Inp	[3387.00; 3387.00]
Inp	3387.00		NIST
Inp	3387.00		NIST
Tboil	1164.46	K	Joback Calculated Property
Tc	1452.62	K	Joback Calculated Property
Tfus	699.02	K	Joback Calculated Property
Vc	1.720	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1552.40; 1609.00]	J/mol×K	[1164.46; 1452.62]
Cp,gas	1552.40	J/mol×K	1164.46	Joback Calculated Property
Cp,gas	1566.85	J/mol×K	1212.49	Joback Calculated Property
Cp,gas	1579.05	J/mol×K	1260.51	Joback Calculated Property
Cp,gas	1589.18	J/mol×K	1308.54	Joback Calculated Property
Cp,gas	1597.42	J/mol×K	1356.57	Joback Calculated Property
Cp,gas	1603.97	J/mol×K	1404.59	Joback Calculated Property
Cp,gas	1609.00	J/mol×K	1452.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, hexadecyl 4-trifluoromethoxybenzyl ester.

Sources

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

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