Chemical Properties of Phthalic acid, 2-(2-fluorophenyl)ethyl undecyl ester

InChI

InChI=1S/C27H35FO4/c1-2-3-4-5-6-7-8-9-14-20-31-26(29)23-16-11-12-17-24(23)27(30)32-21-19-22-15-10-13-18-25(22)28/h10-13,15-18H,2-9,14,19-21H2,1H3

InChI Key

BWKJITOUMQZQAM-UHFFFAOYSA-N

Formula

C27H35FO4

SMILES

CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCc1ccccc1F

Molecular Weight¹

442.56

• 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°	-280.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-836.20	kJ/mol	Joback Calculated Property
ΔfusH°	61.64	kJ/mol	Joback Calculated Property
ΔvapH°	99.07	kJ/mol	Joback Calculated Property
log10WS	-8.51		Crippen Calculated Property
logPoct/wat	6.913		Crippen Calculated Property
McVol	360.420	ml/mol	McGowan Calculated Property
Pc	1020.08	kPa	Joback Calculated Property
Inp	[3169.00; 3169.00]
Inp	3169.00		NIST
Inp	3169.00		NIST
Tboil	1032.33	K	Joback Calculated Property
Tc	1263.87	K	Joback Calculated Property
Tfus	616.84	K	Joback Calculated Property
Vc	1.397	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1204.53; 1268.61]	J/mol×K	[1032.33; 1263.87]
Cp,gas	1204.53	J/mol×K	1032.33	Joback Calculated Property
Cp,gas	1218.88	J/mol×K	1070.92	Joback Calculated Property
Cp,gas	1231.68	J/mol×K	1109.51	Joback Calculated Property
Cp,gas	1242.99	J/mol×K	1148.10	Joback Calculated Property
Cp,gas	1252.87	J/mol×K	1186.69	Joback Calculated Property
Cp,gas	1261.39	J/mol×K	1225.28	Joback Calculated Property
Cp,gas	1268.61	J/mol×K	1263.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2-(2-fluorophenyl)ethyl undecyl ester.

Sources

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

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