Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-chloro-6-fluorophenyl ester

InChI

InChI=1S/C14H13ClF4O4/c1-8(14(17,18)19)22-11(20)6-3-7-12(21)23-13-9(15)4-2-5-10(13)16/h2,4-5,8H,3,6-7H2,1H3

InChI Key

PRBXGYPWXSINND-UHFFFAOYSA-N

Formula

C14H13ClF4O4

SMILES

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

Molecular Weight¹

356.70

• 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°	-1098.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-1422.51	kJ/mol	Joback Calculated Property
ΔfusH°	36.43	kJ/mol	Joback Calculated Property
ΔvapH°	68.10	kJ/mol	Joback Calculated Property
log10WS	-4.95		Crippen Calculated Property
logPoct/wat	4.049		Crippen Calculated Property
McVol	218.560	ml/mol	McGowan Calculated Property
Pc	1796.98	kPa	Joback Calculated Property
Inp	[1788.00; 1788.00]
Inp	1788.00		NIST
Inp	1788.00		NIST
Tboil	739.78	K	Joback Calculated Property
Tc	933.73	K	Joback Calculated Property
Tfus	463.02	K	Joback Calculated Property
Vc	0.864	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[599.10; 656.92]	J/mol×K	[739.78; 933.73]
Cp,gas	599.10	J/mol×K	739.78	Joback Calculated Property
Cp,gas	610.70	J/mol×K	772.11	Joback Calculated Property
Cp,gas	621.49	J/mol×K	804.43	Joback Calculated Property
Cp,gas	631.49	J/mol×K	836.76	Joback Calculated Property
Cp,gas	640.71	J/mol×K	869.08	Joback Calculated Property
Cp,gas	649.18	J/mol×K	901.41	Joback Calculated Property
Cp,gas	656.92	J/mol×K	933.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-chloro-6-fluorophenyl ester.

Sources

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

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