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

InChI

InChI=1S/C30H39F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-36-29(34)24-17-14-15-18-25(24)30(35)37-22-23-20-27(32)28(33)21-26(23)31/h14-15,17-18,20-21H,2-13,16,19,22H2,1H3

InChI Key

QSUFBNATYQSWGC-UHFFFAOYSA-N

Formula

C30H39F3O4

SMILES

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

Molecular Weight¹

520.62

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.3304		Relay (1.0) Calculated Property
ΔfG°	-664.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-1303.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	74.80	kJ/mol	Joback Calculated Property
ΔvapH°	137.58	kJ/mol	Relay (1.0) Calculated Property
IE	9.14	eV	Relay (1.0) Calculated Property
log10WS	-9.36		Relay (1.0) Calculated Property
logPoct/wat	8.709		Crippen Calculated Property
McVol	406.230	ml/mol	McGowan Calculated Property
Pc	798.43	kPa	Joback Calculated Property
Inp	[3636.00; 3636.00]
Inp	3636.00		NIST
Inp	3636.00		NIST
Tboil	716.91	K	Relay (1.0) Calculated Property
Tc	942.51	K	Relay (1.0) Calculated Property
Tfus	316.99	K	Relay (1.0) Calculated Property
Vc	1.526	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1399.90; 1456.73]	J/mol×K	[1109.47; 1372.84]
Cp,gas	1399.90	J/mol×K	1109.47	Joback Calculated Property
Cp,gas	1414.33	J/mol×K	1153.36	Joback Calculated Property
Cp,gas	1426.65	J/mol×K	1197.26	Joback Calculated Property
Cp,gas	1436.96	J/mol×K	1241.15	Joback Calculated Property
Cp,gas	1445.35	J/mol×K	1285.05	Joback Calculated Property
Cp,gas	1451.91	J/mol×K	1328.94	Joback Calculated Property
Cp,gas	1456.73	J/mol×K	1372.84	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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