Chemical Properties of 1-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-methoxy-2-oxoethyl 2,3,4,5,6-pentafluorobenzoate

InChI

InChI=1S/C15H13F5O6/c1-15(2)24-4-5(26-15)12(14(22)23-3)25-13(21)6-7(16)9(18)11(20)10(19)8(6)17/h5,12H,4H2,1-3H3

InChI Key

SRUJXXWXUCZDTP-UHFFFAOYSA-N

Formula

C15H13F5O6

SMILES

COC(=O)C(OC(=O)c1c(F)c(F)c(F)c(F)c1F)C1COC(C)(C)O1

Molecular Weight¹

384.25

• 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	0.7244		Relay (... Calculated Property
ΔfG°	-1453.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-1755.77	kJ/mol	Relay (... Calculated Property
ΔfusH°	48.82	kJ/mol	Joback Calculated Property
ΔvapH°	91.93	kJ/mol	Relay (... Calculated Property
IE	9.65	eV	Relay (... Calculated Property
log10WS	-4.61		Relay (... Calculated Property
logPoct/wat	2.232		Crippen Calculated Property
McVol	223.060	ml/mol	McGowan Calculated Property
Pc	1806.16	kPa	Joback Calculated Property
Inp	[1759.00; 1759.00]
Inp	1759.00		NIST
Inp	1759.00		NIST
Tboil	565.92	K	Relay (... Calculated Property
Tc	771.41	K	Relay (... Calculated Property
Tfus	322.69	K	Relay (... Calculated Property
Vc	0.865	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[678.26; 749.43]	J/mol×K	[807.42; 1008.39]
Cp,gas	678.26	J/mol×K	807.42	Joback Calculated Property
Cp,gas	691.24	J/mol×K	840.91	Joback Calculated Property
Cp,gas	703.70	J/mol×K	874.41	Joback Calculated Property
Cp,gas	715.69	J/mol×K	907.90	Joback Calculated Property
Cp,gas	727.27	J/mol×K	941.40	Joback Calculated Property
Cp,gas	738.50	J/mol×K	974.89	Joback Calculated Property
Cp,gas	749.43	J/mol×K	1008.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-methoxy-2-oxoethyl 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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