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

InChI

InChI=1S/C14H13Cl2F3O4/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

NWJCJQOIQPUQKP-UHFFFAOYSA-N

Formula

C14H13Cl2F3O4

SMILES

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

Molecular Weight¹

373.15

• 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°	-915.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-1242.14	kJ/mol	Joback Calculated Property
ΔfusH°	37.55	kJ/mol	Joback Calculated Property
ΔvapH°	73.30	kJ/mol	Joback Calculated Property
log10WS	-5.30		Crippen Calculated Property
logPoct/wat	4.563		Crippen Calculated Property
McVol	229.030	ml/mol	McGowan Calculated Property
Pc	1809.23	kPa	Joback Calculated Property
Inp	[1943.00; 1943.00]
Inp	1943.00		NIST
Inp	1943.00		NIST
Tboil	777.94	K	Joback Calculated Property
Tc	982.13	K	Joback Calculated Property
Tfus	492.35	K	Joback Calculated Property
Vc	0.894	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[614.80; 668.44]	J/mol×K	[777.94; 982.13]
Cp,gas	614.80	J/mol×K	777.94	Joback Calculated Property
Cp,gas	625.82	J/mol×K	811.97	Joback Calculated Property
Cp,gas	635.97	J/mol×K	846.00	Joback Calculated Property
Cp,gas	645.28	J/mol×K	880.04	Joback Calculated Property
Cp,gas	653.78	J/mol×K	914.07	Joback Calculated Property
Cp,gas	661.49	J/mol×K	948.10	Joback Calculated Property
Cp,gas	668.44	J/mol×K	982.13	Joback Calculated Property

Similar Compounds

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

Sources

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

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