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

InChI

InChI=1S/C14H15F5O5/c1-21-2-3-22-4-5-23-6-7-24-14(20)8-9(15)11(17)13(19)12(18)10(8)16/h2-7H2,1H3

InChI Key

HENMLTRBSZOUSW-UHFFFAOYSA-N

Formula

C14H15F5O5

SMILES

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

Molecular Weight¹

358.26

• 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	0.8918		Relay (... Calculated Property
ΔfG°	-1391.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-1546.69	kJ/mol	Relay (... Calculated Property
ΔfusH°	45.86	kJ/mol	Joback Calculated Property
ΔvapH°	85.80	kJ/mol	Relay (... Calculated Property
IE	9.60	eV	Relay (... Calculated Property
log10WS	-4.27		Relay (... Calculated Property
logPoct/wat	2.218		Crippen Calculated Property
McVol	218.260	ml/mol	McGowan Calculated Property
Pc	1554.90	kPa	Joback Calculated Property
Inp	[1800.00; 1800.00]
Inp	1800.00		NIST
Inp	1800.00		NIST
Tboil	580.19	K	Relay (... Calculated Property
Tc	758.38	K	Relay (... Calculated Property
Tfus	265.75	K	Relay (... Calculated Property
Vc	0.819	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[612.14; 676.82]	J/mol×K	[711.20; 883.44]
Cp,gas	612.14	J/mol×K	711.20	Joback Calculated Property
Cp,gas	624.52	J/mol×K	739.91	Joback Calculated Property
Cp,gas	636.29	J/mol×K	768.61	Joback Calculated Property
Cp,gas	647.43	J/mol×K	797.32	Joback Calculated Property
Cp,gas	657.91	J/mol×K	826.03	Joback Calculated Property
Cp,gas	667.71	J/mol×K	854.73	Joback Calculated Property
Cp,gas	676.82	J/mol×K	883.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(2-(2-Methoxyethoxy)ethoxy)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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