Chemical Properties of Succinic acid, 2,2,3,3-tetrafluoropropyl 3-fluorophenyl ester

InChI

InChI=1S/C13H11F5O4/c14-8-2-1-3-9(6-8)22-11(20)5-4-10(19)21-7-13(17,18)12(15)16/h1-3,6,12H,4-5,7H2

InChI Key

SHMVTGBRZYXLHV-UHFFFAOYSA-N

Formula

C13H11F5O4

SMILES

O=C(CCC(=O)Oc1cccc(F)c1)OCC(F)(F)C(F)F

Molecular Weight¹

326.22

• 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	0.7393		Relay (... Calculated Property
ΔfG°	-1280.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-1649.97	kJ/mol	Relay (... Calculated Property
ΔfusH°	33.11	kJ/mol	Joback Calculated Property
ΔvapH°	81.45	kJ/mol	Relay (... Calculated Property
IE	9.47	eV	Relay (... Calculated Property
log10WS	-4.31		Relay (... Calculated Property
logPoct/wat	2.955		Crippen Calculated Property
McVol	194.000	ml/mol	McGowan Calculated Property
Pc	1964.82	kPa	Joback Calculated Property
Inp	[1636.00; 1636.00]
Inp	1636.00		NIST
Inp	1636.00		NIST
Tboil	551.68	K	Relay (... Calculated Property
Tc	740.70	K	Relay (... Calculated Property
Tfus	328.38	K	Relay (... Calculated Property
Vc	0.717	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[531.03; 590.82]	J/mol×K	[673.76; 857.46]
Cp,gas	531.03	J/mol×K	673.76	Joback Calculated Property
Cp,gas	542.81	J/mol×K	704.38	Joback Calculated Property
Cp,gas	553.83	J/mol×K	734.99	Joback Calculated Property
Cp,gas	564.13	J/mol×K	765.61	Joback Calculated Property
Cp,gas	573.71	J/mol×K	796.23	Joback Calculated Property
Cp,gas	582.60	J/mol×K	826.85	Joback Calculated Property
Cp,gas	590.82	J/mol×K	857.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2,3,3-tetrafluoropropyl 3-fluorophenyl ester.

Sources

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

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