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

InChI

InChI=1S/C13H20F4O4/c1-3-9(2)6-7-20-10(18)4-5-11(19)21-8-13(16,17)12(14)15/h9,12H,3-8H2,1-2H3

InChI Key

KRURQLMBPGKGOO-UHFFFAOYSA-N

Formula

C13H20F4O4

SMILES

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

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	0.7529		Relay (1.0) Calculated Property
ΔfG°	-1190.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-1720.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.86	kJ/mol	Joback Calculated Property
ΔvapH°	73.99	kJ/mol	Relay (1.0) Calculated Property
IE	10.38	eV	Relay (1.0) Calculated Property
log10WS	-3.92		Relay (1.0) Calculated Property
logPoct/wat	3.190		Crippen Calculated Property
McVol	215.990	ml/mol	McGowan Calculated Property
Pc	1575.95	kPa	Joback Calculated Property
Inp	[1525.00; 1525.00]
Inp	1525.00		NIST
Inp	1525.00		NIST
Tboil	528.84	K	Relay (1.0) Calculated Property
Tc	680.94	K	Relay (1.0) Calculated Property
Tfus	267.62	K	Relay (1.0) Calculated Property
Vc	0.801	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[604.03; 677.80]	J/mol×K	[642.39; 807.96]
Cp,gas	604.03	J/mol×K	642.39	Joback Calculated Property
Cp,gas	617.98	J/mol×K	669.98	Joback Calculated Property
Cp,gas	631.26	J/mol×K	697.58	Joback Calculated Property
Cp,gas	643.86	J/mol×K	725.17	Joback Calculated Property
Cp,gas	655.81	J/mol×K	752.77	Joback Calculated Property
Cp,gas	667.12	J/mol×K	780.36	Joback Calculated Property
Cp,gas	677.80	J/mol×K	807.96	Joback Calculated Property

Similar Compounds

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

Sources

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

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