Chemical Properties of 2,2-Dichloroethyl 2,3,4,5,6-pentafluorobenzoate

InChI

InChI=1S/C9H3Cl2F5O2/c10-2(11)1-18-9(17)3-4(12)6(14)8(16)7(15)5(3)13/h2H,1H2

InChI Key

BDDYSSGHSZDLEW-UHFFFAOYSA-N

Formula

C9H3Cl2F5O2

SMILES

O=C(OCC(Cl)Cl)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

309.02

• 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	0.6221		Relay (... Calculated Property
ΔfG°	-1145.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-1095.47	kJ/mol	Relay (... Calculated Property
ΔfusH°	34.22	kJ/mol	Joback Calculated Property
ΔvapH°	71.98	kJ/mol	Relay (... Calculated Property
IE	10.41	eV	Relay (... Calculated Property
log10WS	-5.72		Relay (... Calculated Property
logPoct/wat	3.343		Crippen Calculated Property
McVol	154.680	ml/mol	McGowan Calculated Property
Pc	2331.52	kPa	Joback Calculated Property
Inp	[1379.00; 1379.00]
Inp	1379.00		NIST
Inp	1379.00		NIST
Tboil	506.77	K	Relay (... Calculated Property
Tc	715.70	K	Relay (... Calculated Property
Tfus	306.58	K	Relay (... Calculated Property
Vc	0.558	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[341.00; 381.65]	J/mol×K	[603.96; 790.67]
Cp,gas	341.00	J/mol×K	603.96	Joback Calculated Property
Cp,gas	348.75	J/mol×K	635.08	Joback Calculated Property
Cp,gas	356.12	J/mol×K	666.20	Joback Calculated Property
Cp,gas	363.09	J/mol×K	697.31	Joback Calculated Property
Cp,gas	369.68	J/mol×K	728.43	Joback Calculated Property
Cp,gas	375.87	J/mol×K	759.55	Joback Calculated Property
Cp,gas	381.65	J/mol×K	790.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2-Dichloroethyl 2,3,4,5,6-pentafluorobenzoate.

Sources

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

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