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

InChI

InChI=1S/C19H18F2O4/c1-2-3-10-24-18(22)15-6-4-5-7-16(15)19(23)25-12-13-11-14(20)8-9-17(13)21/h4-9,11H,2-3,10,12H2,1H3

InChI Key

QBFPJKJAPBFYKY-UHFFFAOYSA-N

Formula

C19H18F2O4

SMILES

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

Molecular Weight¹

348.34

• 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°	-552.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-878.66	kJ/mol	Joback Calculated Property
ΔfusH°	43.61	kJ/mol	Joback Calculated Property
ΔvapH°	81.10	kJ/mol	Joback Calculated Property
log10WS	-5.99		Crippen Calculated Property
logPoct/wat	4.279		Crippen Calculated Property
McVol	249.470	ml/mol	McGowan Calculated Property
Pc	1703.31	kPa	Joback Calculated Property
Inp	[2238.00; 2238.00]
Inp	2238.00		NIST
Inp	2238.00		NIST
Tboil	853.54	K	Joback Calculated Property
Tc	1067.78	K	Joback Calculated Property
Tfus	539.79	K	Joback Calculated Property
Vc	0.968	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[736.86; 797.53]	J/mol×K	[853.54; 1067.78]
Cp,gas	736.86	J/mol×K	853.54	Joback Calculated Property
Cp,gas	749.74	J/mol×K	889.25	Joback Calculated Property
Cp,gas	761.49	J/mol×K	924.95	Joback Calculated Property
Cp,gas	772.12	J/mol×K	960.66	Joback Calculated Property
Cp,gas	781.65	J/mol×K	996.37	Joback Calculated Property
Cp,gas	790.12	J/mol×K	1032.08	Joback Calculated Property
Cp,gas	797.53	J/mol×K	1067.78	Joback Calculated Property

Similar Compounds

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

Sources

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

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