Chemical Properties of Succinic acid, 2,2,3,3-tetrafluoropropyl 4-cyanophenyl ester

InChI

InChI=1S/C14H11F4NO4/c15-13(16)14(17,18)8-22-11(20)5-6-12(21)23-10-3-1-9(7-19)2-4-10/h1-4,13H,5-6,8H2

InChI Key

PEHFOTYUWMATHU-UHFFFAOYSA-N

Formula

C14H11F4NO4

SMILES

N#Cc1ccc(OC(=O)CCC(=O)OCC(F)(F)C(F)F)cc1

Molecular Weight¹

333.24

• 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	0.8010		Relay (... Calculated Property
ΔfG°	-943.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-1330.23	kJ/mol	Relay (... Calculated Property
ΔfusH°	34.13	kJ/mol	Joback Calculated Property
ΔvapH°	91.46	kJ/mol	Relay (... Calculated Property
IE	9.77	eV	Relay (... Calculated Property
log10WS	-4.32		Relay (... Calculated Property
logPoct/wat	2.687		Crippen Calculated Property
McVol	207.700	ml/mol	McGowan Calculated Property
Pc	1838.84	kPa	Joback Calculated Property
Inp	[2019.00; 2019.00]
Inp	2019.00		NIST
Inp	2019.00		NIST
Tboil	603.11	K	Relay (... Calculated Property
Tc	801.21	K	Relay (... Calculated Property
Tfus	355.29	K	Relay (... Calculated Property
Vc	0.754	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[594.59; 642.18]	J/mol×K	[799.45; 1002.01]
Cp,gas	594.59	J/mol×K	799.45	Joback Calculated Property
Cp,gas	604.50	J/mol×K	833.21	Joback Calculated Property
Cp,gas	613.58	J/mol×K	866.97	Joback Calculated Property
Cp,gas	621.87	J/mol×K	900.73	Joback Calculated Property
Cp,gas	629.38	J/mol×K	934.49	Joback Calculated Property
Cp,gas	636.14	J/mol×K	968.25	Joback Calculated Property
Cp,gas	642.18	J/mol×K	1002.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2,3,3-tetrafluoropropyl 4-cyanophenyl ester.

Sources

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

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