Chemical Properties of 2-(2-Ethoxyethoxy)ethyl 2,3,4,5,6-pentafluorobenzoate

InChI

InChI=1S/C13H13F5O4/c1-2-20-3-4-21-5-6-22-13(19)7-8(14)10(16)12(18)11(17)9(7)15/h2-6H2,1H3

InChI Key

SZCGRTKSXWGXPC-UHFFFAOYSA-N

Formula

C13H13F5O4

SMILES

CCOCCOCCOC(=O)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

328.23

• 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	0.8085		Relay (... Calculated Property
ΔfG°	-1295.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-1414.12	kJ/mol	Relay (... Calculated Property
ΔfusH°	42.08	kJ/mol	Joback Calculated Property
ΔvapH°	79.81	kJ/mol	Relay (... Calculated Property
IE	9.49	eV	Relay (... Calculated Property
log10WS	-4.65		Relay (... Calculated Property
logPoct/wat	2.592		Crippen Calculated Property
McVol	198.300	ml/mol	McGowan Calculated Property
Pc	1703.31	kPa	Joback Calculated Property
Inp	[1595.00; 1595.00]
Inp	1595.00		NIST
Inp	1595.00		NIST
Tboil	551.20	K	Relay (... Calculated Property
Tc	727.12	K	Relay (... Calculated Property
Tfus	253.23	K	Relay (... Calculated Property
Vc	0.745	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[533.20; 595.89]	J/mol×K	[665.90; 836.54]
Cp,gas	533.20	J/mol×K	665.90	Joback Calculated Property
Cp,gas	544.99	J/mol×K	694.34	Joback Calculated Property
Cp,gas	556.26	J/mol×K	722.78	Joback Calculated Property
Cp,gas	567.00	J/mol×K	751.22	Joback Calculated Property
Cp,gas	577.19	J/mol×K	779.66	Joback Calculated Property
Cp,gas	586.83	J/mol×K	808.10	Joback Calculated Property
Cp,gas	595.89	J/mol×K	836.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(2-Ethoxyethoxy)ethyl 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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