Chemical Properties of Succinic acid, 2,2,3,3-tetrafluoropropyl non-5-yn-3-yl ester

InChI

InChI=1S/C16H22F4O4/c1-3-5-6-7-8-12(4-2)24-14(22)10-9-13(21)23-11-16(19,20)15(17)18/h12,15H,3-5,8-11H2,1-2H3

InChI Key

SSQLOHJDWMEGBZ-UHFFFAOYSA-N

Formula

C16H22F4O4

SMILES

CCCC#CCC(CC)OC(=O)CCC(=O)OCC(F)(F)C(F)F

Molecular Weight¹

354.34

• 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	0.7413		Relay (1.0) Calculated Property
ΔfG°	-962.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-1508.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.75	kJ/mol	Joback Calculated Property
ΔvapH°	85.92	kJ/mol	Relay (1.0) Calculated Property
IE	9.93	eV	Relay (1.0) Calculated Property
log10WS	-4.22		Relay (1.0) Calculated Property
logPoct/wat	3.726		Crippen Calculated Property
McVol	249.660	ml/mol	McGowan Calculated Property
Pc	1427.22	kPa	Joback Calculated Property
Inp	[1781.00; 1781.00]
Inp	1781.00		NIST
Inp	1781.00		NIST
Tboil	547.66	K	Relay (1.0) Calculated Property
Tc	717.77	K	Relay (1.0) Calculated Property
Tfus	287.24	K	Relay (1.0) Calculated Property
Vc	0.902	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[722.38; 798.22]	J/mol×K	[720.03; 898.57]
Cp,gas	722.38	J/mol×K	720.03	Joback Calculated Property
Cp,gas	736.99	J/mol×K	749.79	Joback Calculated Property
Cp,gas	750.79	J/mol×K	779.54	Joback Calculated Property
Cp,gas	763.79	J/mol×K	809.30	Joback Calculated Property
Cp,gas	776.02	J/mol×K	839.06	Joback Calculated Property
Cp,gas	787.49	J/mol×K	868.81	Joback Calculated Property
Cp,gas	798.22	J/mol×K	898.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2,3,3-tetrafluoropropyl non-5-yn-3-yl ester.

Sources

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

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