Chemical Properties of Glutaric acid, 2,5-difluorobenzyl 2-methylhex-3-yl ester

InChI

InChI=1S/C19H26F2O4/c1-4-6-17(13(2)3)25-19(23)8-5-7-18(22)24-12-14-11-15(20)9-10-16(14)21/h9-11,13,17H,4-8,12H2,1-3H3

InChI Key

GISZEBLSOXPSBI-UHFFFAOYSA-N

Formula

C19H26F2O4

SMILES

CCCC(OC(=O)CCCC(=O)OCc1cc(F)ccc1F)C(C)C

Molecular Weight¹

356.40

• 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°	-660.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-1114.28	kJ/mol	Joback Calculated Property
ΔfusH°	42.92	kJ/mol	Joback Calculated Property
ΔvapH°	77.39	kJ/mol	Joback Calculated Property
log10WS	-5.63		Crippen Calculated Property
logPoct/wat	4.546		Crippen Calculated Property
McVol	273.230	ml/mol	McGowan Calculated Property
Pc	1348.67	kPa	Joback Calculated Property
Inp	[2202.00; 2202.00]
Inp	2202.00		NIST
Inp	2202.00		NIST
Tboil	821.00	K	Joback Calculated Property
Tc	1016.29	K	Joback Calculated Property
Tfus	470.85	K	Joback Calculated Property
Vc	1.063	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[834.34; 910.13]	J/mol×K	[821.00; 1016.29]
Cp,gas	834.34	J/mol×K	821.00	Joback Calculated Property
Cp,gas	849.57	J/mol×K	853.55	Joback Calculated Property
Cp,gas	863.74	J/mol×K	886.10	Joback Calculated Property
Cp,gas	876.86	J/mol×K	918.65	Joback Calculated Property
Cp,gas	888.96	J/mol×K	951.20	Joback Calculated Property
Cp,gas	900.04	J/mol×K	983.74	Joback Calculated Property
Cp,gas	910.13	J/mol×K	1016.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,5-difluorobenzyl 2-methylhex-3-yl ester.

Sources

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

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