Chemical Properties of Succinic acid, 2,2,3,3-tetrafluoropropyl 2-methylpent-3-yl ester

InChI

InChI=1S/C13H20F4O4/c1-4-9(8(2)3)21-11(19)6-5-10(18)20-7-13(16,17)12(14)15/h8-9,12H,4-7H2,1-3H3

InChI Key

TYKBWSAJEQZCTO-UHFFFAOYSA-N

Formula

C13H20F4O4

SMILES

CCC(OC(=O)CCC(=O)OCC(F)(F)C(F)F)C(C)C

Molecular Weight¹

316.29

• 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	0.7202		Relay (1.0) Calculated Property
ΔfG°	-1192.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-1730.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.34	kJ/mol	Joback Calculated Property
ΔvapH°	73.60	kJ/mol	Relay (1.0) Calculated Property
IE	10.31	eV	Relay (1.0) Calculated Property
log10WS	-3.53		Relay (1.0) Calculated Property
logPoct/wat	3.188		Crippen Calculated Property
McVol	215.990	ml/mol	McGowan Calculated Property
Pc	1586.01	kPa	Joback Calculated Property
Inp	[1470.00; 1470.00]
Inp	1470.00		NIST
Inp	1470.00		NIST
Tboil	522.66	K	Relay (1.0) Calculated Property
Tc	673.16	K	Relay (1.0) Calculated Property
Tfus	281.10	K	Relay (1.0) Calculated Property
Vc	0.795	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[604.46; 679.18]	J/mol×K	[641.95; 809.65]
Cp,gas	604.46	J/mol×K	641.95	Joback Calculated Property
Cp,gas	618.64	J/mol×K	669.90	Joback Calculated Property
Cp,gas	632.11	J/mol×K	697.85	Joback Calculated Property
Cp,gas	644.88	J/mol×K	725.80	Joback Calculated Property
Cp,gas	656.97	J/mol×K	753.75	Joback Calculated Property
Cp,gas	668.40	J/mol×K	781.70	Joback Calculated Property
Cp,gas	679.18	J/mol×K	809.65	Joback Calculated Property

Similar Compounds

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

Sources

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

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