Chemical Properties of Phthalic acid, 2,5-difluorobenzyl undecyl ester

InChI

InChI=1S/C26H32F2O4/c1-2-3-4-5-6-7-8-9-12-17-31-25(29)22-13-10-11-14-23(22)26(30)32-19-20-18-21(27)15-16-24(20)28/h10-11,13-16,18H,2-9,12,17,19H2,1H3

InChI Key

LWGCJNKMNKMTKS-UHFFFAOYSA-N

Formula

C26H32F2O4

SMILES

CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1cc(F)ccc1F

Molecular Weight¹

446.53

• 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°	-493.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-1023.14	kJ/mol	Joback Calculated Property
ΔfusH°	61.74	kJ/mol	Joback Calculated Property
ΔvapH°	96.69	kJ/mol	Joback Calculated Property
log10WS	-8.92		Crippen Calculated Property
logPoct/wat	7.009		Crippen Calculated Property
McVol	348.100	ml/mol	McGowan Calculated Property
Pc	1043.95	kPa	Joback Calculated Property
Inp	[2941.00; 2941.00]
Inp	2941.00		NIST
Inp	2941.00		NIST
Tboil	1013.70	K	Joback Calculated Property
Tc	1241.05	K	Joback Calculated Property
Tfus	618.68	K	Joback Calculated Property
Vc	1.359	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1149.11; 1210.84]	J/mol×K	[1013.70; 1241.05]
Cp,gas	1149.11	J/mol×K	1013.70	Joback Calculated Property
Cp,gas	1163.01	J/mol×K	1051.59	Joback Calculated Property
Cp,gas	1175.39	J/mol×K	1089.48	Joback Calculated Property
Cp,gas	1186.32	J/mol×K	1127.38	Joback Calculated Property
Cp,gas	1195.83	J/mol×K	1165.27	Joback Calculated Property
Cp,gas	1203.99	J/mol×K	1203.16	Joback Calculated Property
Cp,gas	1210.84	J/mol×K	1241.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2,5-difluorobenzyl undecyl ester.

Sources

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

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