Chemical Properties of Glutaric acid, 2,6-difluoro-4-bromobenzyl 2-methylhex-3-yl ester

InChI

InChI=1S/C19H25BrF2O4/c1-4-6-17(12(2)3)26-19(24)8-5-7-18(23)25-11-14-15(21)9-13(20)10-16(14)22/h9-10,12,17H,4-8,11H2,1-3H3

InChI Key

FAETYQWUDZLMPJ-UHFFFAOYSA-N

Formula

C19H25BrF2O4

SMILES

CCCC(OC(=O)CCCC(=O)OCc1c(F)cc(Br)cc1F)C(C)C

Molecular Weight¹

435.30

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8938		Relay (1.0) Calculated Property
ΔfG°	-655.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-1143.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.81	kJ/mol	Joback Calculated Property
ΔvapH°	98.92	kJ/mol	Relay (1.0) Calculated Property
IE	8.81	eV	Relay (1.0) Calculated Property
log10WS	-6.02		Relay (1.0) Calculated Property
logPoct/wat	5.309		Crippen Calculated Property
McVol	290.730	ml/mol	McGowan Calculated Property
Pc	1403.79	kPa	Joback Calculated Property
Inp	[2435.00; 2435.00]
Inp	2435.00		NIST
Inp	2435.00		NIST
Tboil	646.93	K	Relay (1.0) Calculated Property
Tc	829.87	K	Relay (1.0) Calculated Property
Tfus	307.23	K	Relay (1.0) Calculated Property
Vc	1.041	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[872.80; 937.59]	J/mol×K	[892.14; 1099.86]
Cp,gas	872.80	J/mol×K	892.14	Joback Calculated Property
Cp,gas	886.30	J/mol×K	926.76	Joback Calculated Property
Cp,gas	898.70	J/mol×K	961.38	Joback Calculated Property
Cp,gas	910.00	J/mol×K	996.00	Joback Calculated Property
Cp,gas	920.24	J/mol×K	1030.62	Joback Calculated Property
Cp,gas	929.43	J/mol×K	1065.24	Joback Calculated Property
Cp,gas	937.59	J/mol×K	1099.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,6-difluoro-4-bromobenzyl 2-methylhex-3-yl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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