Chemical Properties of Glutaric acid, 1-(2,6-difluorophenyl)ethyl 2-methylhex-3-yl ester

InChI

InChI=1S/C20H28F2O4/c1-5-8-17(13(2)3)26-19(24)12-7-11-18(23)25-14(4)20-15(21)9-6-10-16(20)22/h6,9-10,13-14,17H,5,7-8,11-12H2,1-4H3

InChI Key

BPOJGTKSXBCGIL-UHFFFAOYSA-N

Formula

C20H28F2O4

SMILES

CCCC(OC(=O)CCCC(=O)OC(C)c1c(F)cccc1F)C(C)C

Molecular Weight¹

370.43

• 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°	-654.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-1140.20	kJ/mol	Joback Calculated Property
ΔfusH°	41.98	kJ/mol	Joback Calculated Property
ΔvapH°	79.23	kJ/mol	Joback Calculated Property
log10WS	-6.01		Crippen Calculated Property
logPoct/wat	5.107		Crippen Calculated Property
McVol	287.320	ml/mol	McGowan Calculated Property
Pc	1265.55	kPa	Joback Calculated Property
Inp	[2240.00; 2240.00]
Inp	2240.00		NIST
Inp	2240.00		NIST
Tboil	843.44	K	Joback Calculated Property
Tc	1041.41	K	Joback Calculated Property
Tfus	467.12	K	Joback Calculated Property
Vc	1.113	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[893.35; 970.16]	J/mol×K	[843.44; 1041.41]
Cp,gas	893.35	J/mol×K	843.44	Joback Calculated Property
Cp,gas	908.93	J/mol×K	876.44	Joback Calculated Property
Cp,gas	923.38	J/mol×K	909.43	Joback Calculated Property
Cp,gas	936.70	J/mol×K	942.43	Joback Calculated Property
Cp,gas	948.93	J/mol×K	975.42	Joback Calculated Property
Cp,gas	960.08	J/mol×K	1008.42	Joback Calculated Property
Cp,gas	970.16	J/mol×K	1041.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1-(2,6-difluorophenyl)ethyl 2-methylhex-3-yl ester.

Sources

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

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