Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl 2,2,3,3,3-pentafluoropropyl ester

InChI

InChI=1S/C14H11ClF6O4/c15-8-3-1-4-9(16)12(8)25-11(23)6-2-5-10(22)24-7-13(17,18)14(19,20)21/h1,3-4H,2,5-7H2

InChI Key

RXQFNBVOADVANF-UHFFFAOYSA-N

Formula

C14H11ClF6O4

SMILES

O=C(CCCC(=O)Oc1c(F)cccc1Cl)OCC(F)(F)C(F)(F)F

Molecular Weight¹

392.68

• 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	0.7901		Relay (1.0) Calculated Property
ΔfG°	-1482.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-1894.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.70	kJ/mol	Joback Calculated Property
ΔvapH°	84.69	kJ/mol	Relay (1.0) Calculated Property
IE	9.34	eV	Relay (1.0) Calculated Property
log10WS	-5.27		Relay (1.0) Calculated Property
logPoct/wat	4.296		Crippen Calculated Property
McVol	222.100	ml/mol	McGowan Calculated Property
Pc	1682.41	kPa	Joback Calculated Property
Inp	[1701.00; 1701.00]
Inp	1701.00		NIST
Inp	1701.00		NIST
Tboil	544.14	K	Relay (1.0) Calculated Property
Tc	727.92	K	Relay (1.0) Calculated Property
Tfus	309.48	K	Relay (1.0) Calculated Property
Vc	0.812	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[616.74; 670.28]	J/mol×K	[735.53; 922.41]
Cp,gas	616.74	J/mol×K	735.53	Joback Calculated Property
Cp,gas	627.50	J/mol×K	766.68	Joback Calculated Property
Cp,gas	637.47	J/mol×K	797.82	Joback Calculated Property
Cp,gas	646.71	J/mol×K	828.97	Joback Calculated Property
Cp,gas	655.23	J/mol×K	860.12	Joback Calculated Property
Cp,gas	663.07	J/mol×K	891.26	Joback Calculated Property
Cp,gas	670.28	J/mol×K	922.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl 2,2,3,3,3-pentafluoropropyl ester.

Sources

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

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