Chemical Properties of Succinic acid, 2-methylpent-3-yl 2,2,3,4,4,4-hexafluorobutyl ester

InChI

InChI=1S/C14H20F6O4/c1-4-9(8(2)3)24-11(22)6-5-10(21)23-7-13(16,17)12(15)14(18,19)20/h8-9,12H,4-7H2,1-3H3

InChI Key

DZXFGGUIOPVCPJ-UHFFFAOYSA-N

Formula

C14H20F6O4

SMILES

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

Molecular Weight¹

366.30

• 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	0.7459		Relay (1.0) Calculated Property
ΔfG°	-1571.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-2203.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.67	kJ/mol	Joback Calculated Property
ΔvapH°	73.38	kJ/mol	Relay (1.0) Calculated Property
IE	10.27	eV	Relay (1.0) Calculated Property
log10WS	-4.26		Relay (1.0) Calculated Property
logPoct/wat	3.823		Crippen Calculated Property
McVol	233.620	ml/mol	McGowan Calculated Property
Pc	1394.37	kPa	Joback Calculated Property
Inp	[1455.00; 1455.00]
Inp	1455.00		NIST
Inp	1455.00		NIST
Tboil	523.87	K	Relay (1.0) Calculated Property
Tc	653.86	K	Relay (1.0) Calculated Property
Tfus	254.55	K	Relay (1.0) Calculated Property
Vc	0.855	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[676.37; 750.01]	J/mol×K	[660.14; 824.16]
Cp,gas	676.37	J/mol×K	660.14	Joback Calculated Property
Cp,gas	690.47	J/mol×K	687.48	Joback Calculated Property
Cp,gas	703.80	J/mol×K	714.81	Joback Calculated Property
Cp,gas	716.40	J/mol×K	742.15	Joback Calculated Property
Cp,gas	728.28	J/mol×K	769.49	Joback Calculated Property
Cp,gas	739.48	J/mol×K	796.83	Joback Calculated Property
Cp,gas	750.01	J/mol×K	824.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-methylpent-3-yl 2,2,3,4,4,4-hexafluorobutyl ester.

Sources

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

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