Chemical Properties of Phthalic acid, heptadecyl 2,4,5-trifluorobenzyl ester

InChI

InChI=1S/C32H43F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-38-31(36)26-19-16-17-20-27(26)32(37)39-24-25-22-29(34)30(35)23-28(25)33/h16-17,19-20,22-23H,2-15,18,21,24H2,1H3

InChI Key

ZJJDAVQPNNSJFD-UHFFFAOYSA-N

Formula

C32H43F3O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1cc(F)c(F)cc1F

Molecular Weight¹

548.68

• 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°	-647.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-1354.56	kJ/mol	Joback Calculated Property
ΔfusH°	79.98	kJ/mol	Joback Calculated Property
ΔvapH°	109.89	kJ/mol	Joback Calculated Property
log10WS	-11.76		Crippen Calculated Property
logPoct/wat	9.489		Crippen Calculated Property
McVol	434.410	ml/mol	McGowan Calculated Property
Pc	718.37	kPa	Joback Calculated Property
Inp	[2923.00; 2923.00]
Inp	2923.00		NIST
Inp	2923.00		NIST
Tboil	1155.23	K	Joback Calculated Property
Tc	1444.58	K	Joback Calculated Property
Tfus	699.41	K	Joback Calculated Property
Vc	1.714	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1524.07; 1578.50]	J/mol×K	[1155.23; 1444.58]
Cp,gas	1524.07	J/mol×K	1155.23	Joback Calculated Property
Cp,gas	1538.97	J/mol×K	1203.46	Joback Calculated Property
Cp,gas	1551.36	J/mol×K	1251.68	Joback Calculated Property
Cp,gas	1561.36	J/mol×K	1299.91	Joback Calculated Property
Cp,gas	1569.13	J/mol×K	1348.13	Joback Calculated Property
Cp,gas	1574.79	J/mol×K	1396.36	Joback Calculated Property
Cp,gas	1578.50	J/mol×K	1444.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, heptadecyl 2,4,5-trifluorobenzyl ester.

Sources

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

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