Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl isobutyl ester

InChI

InChI=1S/C15H18ClFO4/c1-10(2)9-20-13(18)7-4-8-14(19)21-15-11(16)5-3-6-12(15)17/h3,5-6,10H,4,7-9H2,1-2H3

InChI Key

RKRHAMJLVWXHNO-UHFFFAOYSA-N

Formula

C15H18ClFO4

SMILES

CC(C)COC(=O)CCCC(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

316.75

• 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°	-508.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-846.07	kJ/mol	Joback Calculated Property
ΔfusH°	37.20	kJ/mol	Joback Calculated Property
ΔvapH°	74.08	kJ/mol	Joback Calculated Property
log10WS	-4.35		Crippen Calculated Property
logPoct/wat	3.754		Crippen Calculated Property
McVol	227.340	ml/mol	McGowan Calculated Property
Pc	1827.85	kPa	Joback Calculated Property
Inp	[2027.00; 2027.00]
Inp	2027.00		NIST
Inp	2027.00		NIST
Tboil	768.08	K	Joback Calculated Property
Tc	972.20	K	Joback Calculated Property
Tfus	470.10	K	Joback Calculated Property
Vc	0.876	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[627.25; 693.05]	J/mol×K	[768.08; 972.20]
Cp,gas	627.25	J/mol×K	768.08	Joback Calculated Property
Cp,gas	640.50	J/mol×K	802.10	Joback Calculated Property
Cp,gas	652.83	J/mol×K	836.12	Joback Calculated Property
Cp,gas	664.24	J/mol×K	870.14	Joback Calculated Property
Cp,gas	674.75	J/mol×K	904.16	Joback Calculated Property
Cp,gas	684.35	J/mol×K	938.18	Joback Calculated Property
Cp,gas	693.05	J/mol×K	972.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl isobutyl ester.

Sources

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

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