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

InChI

InChI=1S/C25H29F3O4/c1-2-3-4-5-6-7-8-11-14-31-24(29)19-12-9-10-13-20(19)25(30)32-17-18-15-22(27)23(28)16-21(18)26/h9-10,12-13,15-16H,2-8,11,14,17H2,1H3

InChI Key

LQDDCCJXCZNWFU-UHFFFAOYSA-N

Formula

C25H29F3O4

SMILES

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

Molecular Weight¹

450.49

• 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	1.1425		Relay (1.0) Calculated Property
ΔfG°	-706.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1203.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.85	kJ/mol	Joback Calculated Property
ΔvapH°	117.84	kJ/mol	Relay (1.0) Calculated Property
IE	9.02	eV	Relay (1.0) Calculated Property
log10WS	-7.97		Relay (1.0) Calculated Property
logPoct/wat	6.758		Crippen Calculated Property
McVol	335.780	ml/mol	McGowan Calculated Property
Pc	1068.66	kPa	Joback Calculated Property
Inp	[3066.00; 3066.00]
Inp	3066.00		NIST
Inp	3066.00		NIST
Tboil	682.18	K	Relay (1.0) Calculated Property
Tc	911.35	K	Relay (1.0) Calculated Property
Tfus	305.94	K	Relay (1.0) Calculated Property
Vc	1.257	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1094.27; 1153.81]	J/mol×K	[995.07; 1218.25]
Cp,gas	1094.27	J/mol×K	995.07	Joback Calculated Property
Cp,gas	1107.71	J/mol×K	1032.27	Joback Calculated Property
Cp,gas	1119.70	J/mol×K	1069.46	Joback Calculated Property
Cp,gas	1130.26	J/mol×K	1106.66	Joback Calculated Property
Cp,gas	1139.44	J/mol×K	1143.86	Joback Calculated Property
Cp,gas	1147.27	J/mol×K	1181.05	Joback Calculated Property
Cp,gas	1153.81	J/mol×K	1218.25	Joback Calculated Property

Similar Compounds

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

Sources

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

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